BDMAEE – Page 127

N-Methylisobutylamine

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	06S0
Molecular formula	C5H13N
Molecular weight	87.16
label	Methyl isobutylamine, Isobutylmethylamine, N,2-dimethylpropylamine, Methylisobutylamine, Isobutylmethylamine, N,2-Dimethylpropylamine

Numbering system

CAS number:625-43-4

MDL number:MFCD00015043

EINECS number:210-893-0

RTECS number:None

BRN number:1730970

PubChem ID:None

Physical property data

1. Properties: Pure liquid similar to amine.

2. Density (g/mL, 25/4℃): 0.7248

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 78~80

6. Boiling point (ºC, 5.2kPa): Undetermined Determined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturation Vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (% ,V/V): Not determined

18. Lower explosion limit (%,V/V): Not determined

19. Solubility: Not determined.

Toxicological data

None yet

Ecological data

Do not allow large quantities of products that are slightly harmful to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 28.76

2. Molar volume (cm³/mol): 120.2

3. Isotonic specific volume (90.2K ): 256.4

4. Surface tension (dyne/cm): 20.6

5. Polarizability (10^-24cm³): 11.40

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4.��Number of rotational chemical bonds: 2

5. Number of tautomers: None

6. Topological molecule polar surface area 12

7. Heavy atoms Number: 6

8. Surface charge: 0

9. Complexity: 25.1

10. Number of isotope atoms: 0

11. Determine the number of stereocenters of atoms: 0

12. Determine the number of stereocenters of atoms: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Keep away from oxides and acids.

2. Exist in oriental tobacco leaves and smoke.

Storage method

Store in an airtight container in a cool, dry place. The storage area must be locked and the keys must be given to the technical experts and their assistants. The storage place must be away from oxidizing agents and do not be stored together with acids.

Synthesis method

1. Tobacco: OR, 18.

Purpose

None yet

4-Bromo-3-chloro-3.4,4-trifluorobutene

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	04JP
Molecular formula	C4H3BrC1F3
Molecular weight	223.43
label	1-Bromo-2-chloro-1,1,2-trifluoro-3-butene

Numbering system

CAS number:374-25-4

MDL number:MFCD00039225

EINECS number:None

RTECS number:None

BRN number:1758700

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.678

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 100

Boiling point (ºC, 5.2kPa): Not available

Refractive index: 1.411

Flash Point (ºC): 98-99

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

Two , Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1. Molar refractive index: 33.30

2. Molar Volume (m³/mol）：130.6

3. isotonic specific volume (90.2K):289.5

4. Surface Tension (dyne/cm):24.1

5. Polarizability（10^-24cm³):13.20

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 127

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

2,9-dimethyl-1,10-phenanthroline

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	052J
Molecular formula	C14H12N2.0.5H2O
Molecular weight	217.27
label	New cuprous reagent, 2,9-dimethyl-1,10-phenanthroline, 2,9-Dimethyl-1,10-phenanthroline Hemihydrate

Numbering system

CAS number:484-11-7

MDL number:MFCD00004973

EINECS number:207-601-9

RTECS number:None

BRN number:None

PubChem number:24897492

Physical property data

1. Character: Undetermined

2. Density (g/ m³,25/4℃): Undetermined

3. Relative vapor density (g/cm³,AIR=1): Undetermined

4. Melting point (ºC):159-164

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash Point (ºF): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturation vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: slightly soluble in water

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1、 Molar refractive index:67.77

2、 Molar volume（m³/mol)：176.6

3、 Isotonic specific volume (90.2K):478.5

4、 Surface tension（dyne/cm）：53.8

5、 Polarizability(10^-24cm³）：26.86

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 25.8

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 227

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None yet

Purpose

Photometric analysis to determine copper and determine ultra-micro blood sugar. Organic Synthesis.

9-bromophenanthrene

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	05U9
Molecular formula	C14H9Br
Molecular weight	257.13
label	9-bromophenythracene, 9-bromophenythracene, 9-bromophenanthrene, 9-Bromo-phenanthren, 9-Phenanthryl bromide, 9-Phenathrylbromide, aromatic compounds

Numbering system

CAS number:573-17-1

MDL number:MFCD00001174

EINECS number:209-351-6

RTECS number:SF7197000

BRN number:1869927

PubChem number:24850655

Physical property data

1. Physical property data

1. Properties: white crystal

2. Density (g/mL, 25/4℃): 1.409

3 . Melting point (℃): 65-66℃

4. Boiling point (ºC, 0.16kpa): 190℃

5. Solubility: Soluble in acetic acid and carbon disulfide.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 69.62

2. Molar volume (cm³/mol): 173.8

3. Isotonic specific volume (90.2K): 465.4

4. Surface tension (dyne/cm): 51.3

5. Polarizability (10^-24cm³): 27.60

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 225

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

Dissolve phenanthrene in dry carbon tetrachloride, heat to reflux, add bromine dropwise, and continue to reflux to escape the generated hydrogen bromide. The solvent was evaporated from the reaction solution under reduced pressure, and distillation under reduced pressure was continued to collect the 177-190°C (0.16kPa) fraction, which is 9-bromophenanthrene, with a yield of 90%-94%.

Purpose

Used in organic synthesis.

3-Bromophenanthrene

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	07ES
Molecular formula	C14H9Br
Molecular weight	257.13
label	aromatic compounds

Numbering system

CAS number:715-50-4

MDL number:MFCD06797074

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: white crystal

2. Density (g/mL,25/4℃): Undetermined

3. Relative Vapor density (g/mL,Air=1 ): 1.409

4. Melting point (ºC):65 -66

5. Boiling point (ºC,Normal pressure):190

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: undetermined

8. Flash Point (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of partition coefficient (water): undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:. Soluble in acetic acid; carbon disulfide

Toxicological data

None yet

Ecological data

Other harmful effects: This substance may be harmful to the environment and Bodies of water should be given special attention.

Molecular structure data

1. Molar refractive index: 69.62

2. Molar volume（m³/ mol）：173.8

3. Isotonic specific volume（90.2K）：465.4

4. Surface Tension(dyne/cm)：51.3

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 27.60

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 225

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure

Storage method

Store at room temperature.

Synthesis method

Dissolve phenanthrene in dry tetrahydrofuran Carbon chloride, heat to reflux, add bromine dropwise, and continue to reflux to escape the generated hydrogen bromide. The solvent is evaporated from the reaction solution under reduced pressure, and distillation under reduced pressure is continued to collect 177-190℃ (0.16kPa) fraction, which is 9-bromophenanthrene, yield 90%-94%.

Purpose

For organic synthesis

N,N’-diisopropylcarbodiimide

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	079Q
Molecular formula	C7H14N2
Molecular weight	126.20
label	N,N’-diisopropylcarbodiimide, DIC, (CH3)2CHN=C=NCH(CH3)2, For peptide synthesis, Dehydration condensation agent

Numbering system

CAS number:693-13-0

MDL number:MFCD00065689

EINECS number:211-743-7

RTECS number:FF2175000

BRN number:878281

PubChem number:24893388

Physical property data

1. Characteristics: colorless liquid.

2. Density (g/mL,25/4℃): 0.815

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure): 145-148

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: 1.433

8. Flash Point ( ºC): 33

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined .

Toxicological data

None yet

Ecological data

If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the environment without government permission.

Molecular structure data

1. Molar refractive index: 40.16

2. Molar volume（m³/ mol）：150.8

3. isotonic ratio（90.2K）：334.0

4. Surface Tension（dyne/cm）：24.0

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability:15.92

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 24.7

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 101

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from oxides, acids, moisture.

Storage method

Store in an airtight container and place Store in a cool, dry place. Stored The place must be locked and the keys must be given to the technical experts and their assistants for safekeeping. Storage must be away from oxidizing agents. Keep away from water and never store with acidic substances. Avoid contact with moisture and water.

Synthesis method

None yet

Purpose

Mainly used as a dehydrating agent for amikacin, glutathione and other drugs, and can also be used for the synthesis of acid anhydrides, aldehydes, ketones, and isocyanates.

Myrtenol

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	05B7
Molecular formula	C10H16O
Molecular weight	152
label	10-Hydroxy-2-pinene, 10-Hydroxy-2-pinene, alcohol solvent

Numbering system

CAS number:515-00-4

MDL number:MFCD00016364

EINECS number:208-187-2

RTECS number:None

BRN number:2042774

PubChem ID:None

Physical property data

1. Properties: colorless liquid with woody, grassy, and spicy aroma.

2. Density (g/cm³, 20/4℃): 0.978

3. Relative steam density (g/cm³, air=1): not determined

4. Melting point (ºC): not determined

5. Boiling point (ºC, normal pressure): 221-224 p>

6. Boiling point (ºC, 8kPa): Undetermined

7. Refractive index_(n²⁰_D): 1.456

8. Flash point (ºC): 89.4

9. Specific rotation (º): Undetermined

10. Autoignition point Or ignition temperature (ºC): not determined

11. Vapor pressure (kPa, 25ºC): not determined

12. Saturated vapor pressure (kPa, 60ºC): not determined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Insoluble in water

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 45.48

2. Molar volume (cm³/mol): 153.4

3. Isotonic specific volume (90.2K ): 364.5

4. Surface tension (dyne/cm): 31.8

5. Polarizability (10^-24cm³): 18.03

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 203

10. Number of isotope atoms: 0

11. Determine the originalThe number of substereocenters: 0

12. The number of uncertain atomic stereocenters: 2

13. The number of determined chemical bond stereocenters: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The number of covalent bond units: 1

Properties and stability

1. Use and store according to specifications. It will not decompose and avoid contact with oxides.

2. Found in flue-cured tobacco leaves.

3. Exists in eucalyptus oil and myrtle oil in free form and acetate form.

Storage method

Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. Tobacco: FC, 18.

2. Chlorine, esterify, and hydrolyze β-pinene to produce myrtenol

3. First photooxidize β-pinene to generate the corresponding Hydroperoxide, and then reduction to obtain

4. Epoxidation of β-pinene and then isomerization is a general method for synthesizing myrtenol

Purpose

1. Can be used for lavender and citrus flavors.

2. Can be used in daily fragrances.

1,1,1-trifluoro-2-propanol

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	04JN
Molecular formula	C3H3F3O
Molecular weight	114.07
label	CF3CH(OH)CH3

Numbering system

CAS number:374-01-6

MDL number:MFCD00014403

EINECS number:206-773-2

RTECS number:None

BRN number:1734738

PubChem number:24878458

Physical property data

1. Physical property data

Properties: Not available

Density (g/mL, 25/4℃ ): 1.2799¹⁵

Relative vapor density (g/mL, air=1): Not available

Melting point (ºC): -52

Boiling point (ºC, normal pressure): 77

Refractive index at normal temperature (n²⁰): 1.3160

Refractive index: 1.316

Flash point (ºC): Not available

Specific rotation (º): Not available

Autoignition point or ignition temperature (ºC): Not available

Vapor Pressure (kPa, 25ºC): Not available

Saturated vapor pressure (kPa, 60ºC): Not available

Heat of combustion (KJ/mol ): Not available

Critical temperature (ºC): Not available

Critical pressure (KPa): Not available

Log value of oil-water (octanol/water) partition coefficient: Not available

Explosion upper limit (%, V/V): Not available

Lower explosion limit (%, V/V): Not available

Solubility: Not available

Toxicological data

2. Toxicological data:

Acute toxicity: Not available.

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 17.89

2. Molar volume (cm³/mol): 92.3

3. Isotonic specific volume (90.2K ): 189.2

4. Surface tension (dyne/cm): 17.6

5. Polarizability (10^-24cm³):7.09

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 57.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

trans-2-decenoic acid

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	049R
Molecular formula	C10H18O2
Molecular weight	170.25
label	trans-2-decenoic acid, trans-2-dodecenoic acid, RARECHEM AL BK 0166, T2 DECENOIC ACID, TRANS-2-DECYLENIC ACID, TRANS-2-DECENOIC ACID, FEMA NUMBER 3913, 2-DECYLENIC ACID, 2-DECENOIC ACID, (E)-2-decanoic acid ***

Numbering system

CAS number:334-49-6

MDL number:None

EINECS number:206-378-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 0.925

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure):121-135

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.46-1.464

Flash point (ºC): 160
Specific optical rotation (º): Not possible Use

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

2. Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1. Molar refractive index: 49.99

2. Molar Volume (m³/mol）：181.8

3. isotonic specific volume (90.2K):439.0

4. Surface Tension (dyne/cm): 33.9

5. Polarizability(10^-24cm³):19.82

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 139

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

1,1,2,2-Tetrafluoroethyl methyl ether

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	04SL
Molecular formula	C3H4OF4
Molecular weight	132.06
label	1,1,2,2-tetrafluoroethyl methyl ether, 1,1,2,2-Tetrafluoroethyl methyl ether, 1,1,2,2-TETRAFLUOROETHYL METHYL ETHER, 1,1,2,2-TETRAFLUORO-1-METHOXYETHANE, METHYL 1,1,2,2-TETRAFLUOROETHYL ETHER, Methyl 1,1,2,2-tetrafluoroethyl ether 98%, Methyl1,1,2,2-tetrafluoroethylether98%, 1,1,2,2-Tetrafluoro-3-oxabutane

Numbering system

CAS number:425-88-7

MDL number:MFCD00042106

EINECS number:207-039-4

RTECS number:None

BRN number:1737755

PubChem number:24856874

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.294

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): -107

Boiling point (ºC, normal pressure): 36-37

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.284

Flash Point (ºC): -20

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

2. Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 71.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet