BDMAEE – Page 105

Corydanine

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	05C7
Molecular formula	C22H27NO4
Molecular weight	369.46
label	2,3,9.10-Tetramethoxy-13A-methyl-13AB-berberine, corycine, Purple Corydalis, Corydaline A, (+)-Corydaline, corydaline

Numbering system

CAS number:518-69-4

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/ cm³,25/4): Undetermined

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

4. Melting point (ºC): Undetermined

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

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

Toxicological data

Acute toxicity: mice intravenously LD50: 136mg/kg, except No details other than lethal dose;

Ecological data

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

Molecular structure data

1. style=”FONT: 7pt ‘Times New Roman’; COLOR: #000000″> Molar refractive index:104.44

2. Molar volume (m³/mol):305.2

3. Isotonic specific volume (90.2K):812.0

4. Surface tension (dyne/cm):50.0

5. Polarizability（10^-24cm³ ): 41.40

Compute chemical data

1. Calculation of hydrophobic parametersReference value (XlogP): 3.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Rotable Number of chemical bonds: 4

5. Number of tautomers: None

6. Topological molecule polar surface area 40.2

7. Number of heavy atoms: 27

8. Surface charge: 0

9. Complexity: 503

10. Number of isotope atoms: 0

11. Determine Number of atomic stereocenters: 2

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The 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

Stored in a cool, dry, 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

None yet

Purpose

None yet

Resource:allhdi.com

1H,1H,9H-Hexafluorononanol

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	04KL
Molecular formula	C9H4F16O
Molecular weight	432.11
label	2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexabromofluoronon-1-ol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexabromofluoronon-1-nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-ol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-nonanol, H(CF2)8CH2OH, aliphatic compounds

Numbering system

CAS number:376-18-1

MDL number:MFCD00039629

EINECS number:206-806-0

RTECS number:RA7905000

BRN number:1808149

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): Not available

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

Melting point (ºC): 53-59

Boiling point (ºC, normal pressure): 155-156

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): 157-158

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

1. Molar refractive index: 47.61

2. Molar volume (m³/mol）：262.4

3. isotonic specific volume (90.2K):522.1

4. Surface Tension (dyne/cm):15.6

5. Polarizability（10^-24cm³):18.87

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 17

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 508

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

Resource:allhdi.com

3,3-diphenylpropionic acid

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	069E
Molecular formula	C15H14O2
Molecular weight	226.27
label	β-phenylpropionic acid, β-Phenylhydrocinnamic acid, diphenylpropionic acid, diphenylmethylacetic acid, (C6H5)2CHCH2COOH

Numbering system

CAS number:606-83-7

MDL number:MFCD00002717

EINECS number:210-125-4

RTECS number:None

BRN number:1912506

PubChem number:24867077

Physical property data

Physical property data:
1. Appearance: white powdery solid

2. Melting point157℃

3. Solubility: soluble in ethanol and benzene, insoluble in water

Toxicological data

None yet

Ecological data

3. Ecological data:

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

Molecular structure data

5. Molecular property data:

1, Molar refractive index:66.40

2, Molar volume (m³/mol):197.2

3, Isotonic specific volume (90.2K)：518.3

4, Surface tension (dyne/cm):47.7

5, Polarizability (10^-24cm³ ):26.32

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: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 219

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

1. Properties: white powdery solid.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

2. Preparation method: obtained by hydrocarbonization of cinnamic acid and benzene in the presence of anhydrous aluminum trichloride .

Purpose

3. Uses: Used as pharmaceutical intermediates.

Resource:allhdi.com

2-Chloro-1,4-benzoquinone

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	07AQ
Molecular formula	C6H3ClO2
Molecular weight	142.54
label	2-Chloro-1,4-benzoquinone, o-Chloroquinone, o-Chloroquinone, 2-Chloro-p-benzoquinone, Alicyclic compounds

Numbering system

CAS number:695-99-8

MDL number:MFCD00075260

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24861155

Physical property data

1. Properties: Solid.

2. The gas phase standard claims heat (enthalpy) (kJ·mol^-1): -314.0

3. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -158.0

4. Melting point (ºC): 57

5. Boiling point (ºC, normal pressure): Not available Determined

6. Boiling point (ºC, 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined Determined

9. Specific 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

p>

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil-water (octanol/water) partition coefficient Logarithmic value of p>

19. Solubility: Undetermined.

Toxicological data

None yet

Ecological data

Do not allow undiluted or large quantities of products that are slightly hazardous 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: 32.43

2. Molar volume (cm³/mol): 101.5

3. Isotonic specific volume (90.2K ): 261.4

4. Surface tension (dyne/cm): 43.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 12.85

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Hydrogen bond acceptor�Number: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 34.1

7. Number of heavy atoms: 9

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 Number of stereocenters of chemical bonds: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from oxides.

Storage method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

1,6-dihydroxynaphthalene

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	05UZ
Molecular formula	C10H8O2
Molecular weight	160.17
label	2,5-dihydroxynaphthalene, 1,6-Naphthodiol, 1,6-Naphthalenediol, Organic synthesis of dyes

Numbering system

CAS number:575-44-0

MDL number:MFCD00003981

EINECS number:209-386-7

RTECS number:QJ4743333

BRN number:1939032

PubChem number:24863499

Physical property data

1. Physical property data

1. Melting point (ºC): 130-133

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index:47.85

2. Molar volume (m³/mol）：120.4

3. isotonic specific volume (90.2K):341.1

4. Surface Tension (dyne/cm):64.4

5. Polarizability（10^-24cm³):18.97

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 19

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 158

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

Stability and reactivity:

Materials to avoid: Oxides.

Products to be decomposed: carbon monoxide and carbon dioxide.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

Purpose:

Used as dyes and pharmaceutical intermediates.

Resource:allhdi.com

thioacetanilide

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	070R
Molecular formula	C8H9NS
Molecular weight	151.23
label	N-Phenylthioacetamide, N-Phenylethanethioamide, N-Phenylthioacetamide, CH3CSNHC6H5, Amines

Numbering system

CAS number:637-53-6

MDL number:MFCD00004942

EINECS number:211-288-4

RTECS number:AE7350000

BRN number:None

PubChem number:24849759

Physical property data

1. Characteristics: yellow crystalline powder.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 76-79

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

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: Not determined .

Toxicological data

1, acute toxicity: Rat (oral) LD50: 2,635mg/kg
Mice (orally) LD50: 2,625mg/kg;
Mouse (peritoneal) LD50: 300mg/kg;
Guinea pig (oral) LD50: 1,775 mg/kg;

Since the LD50 of table salt is 3,000 mg/kg, BPA has the same degree of acute toxicity as table salt.

Ecological data

Do not discharge material into drains.

Molecular structure data

1. Molar refractive index: 47.78

2. Molar Volume (m³/mol）：130.3

3. isotonic specific volume (90.2K):352.4

4. Surface Tension (dyne/cm):53.4

5. Polarizability（10^-24cm³):18.94

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 44.1

7.��Number of atoms: 10

8. Surface charge: 0

9. Complexity: 116

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.

Storage method

Stored in Seal the container and place in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

Purpurine

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	053B
Molecular formula	C15H12O5
Molecular weight	272.25
label	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one, 2′,3,4,4′-Tetrahydroxychalcone

Numbering system

CAS number:487-52-5

MDL number:MFCD00017300

EINECS number:207-659-5

RTECS number:None

BRN number:None

PubChem number:24891611

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):216

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. 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 partition coefficient for water: undetermined

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

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

19. Solubility: Undetermined

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:74.63

2、 Molar volume（m³/mol): 183.5

3、 Isotonic specific volume（90.2K）：551.0

4、 Surface tension（3.0 dyne/cm SPAN>):81.2

5、 Polarizability（ 0.5 10^-24cm³):29.58

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.8

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 183

6. Topological molecular polar surface area 98

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 367

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

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

Storage method

-Seal and store at 20°C in a ventilated, dry environment

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

Perfluorotriptylamine

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	04AJ
Molecular formula	C15F33N
Molecular weight	821.12
label	Perfluorotriptylamine, 1,1,2,2,3,3,4,4,5,5,5-Undecafluoro-N,N-bis(undecafluoropentyl)-1-pentylamine, Perfluorotriamylamine, TECH, PERFLUOROTRIAMYLAMINE, perfluorotri-n-pentylamine, PERFLUOROTRIPENTYLAMINE, PERFLUORO-COMPOUND FC-70, tris(undecafluoropentyl)amine, FLUORINERT, FLUORINERT FC-70, FLUORINERT(R) FC-70

Numbering system

CAS number:338-84-1

MDL number:MFCD00042367

EINECS number:206-421-8

RTECS number:None

BRN number:None

PubChem number:24895003

Physical property data

一 , physical property data

Traits ：Colorless and transparent liquid

Density (g/mL,25/4℃): 1.93

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

Melting point (ºC): -25

Boiling point (ºC, normal pressure):212-218

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.303

Flash Point (ºC): 210-220

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:80.15

2. Molar volume (m³/mol):463.8

3. Isotonic specific volume (90.2K): 894.7

4. SurfaceStrength (dyne/cm）：13.8

5. Polarizability（10^-24cm³)：31.77

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 11.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 34

4. Number of rotatable chemical bonds: 12

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 49

8. Surface charge: 0

9. Complexity: 1040

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

This product is a fluorine-containing inert liquid, used as electrical insulating oil, heat transfer coolant, dielectric fluid, and precision instruments in the aerospace industry, electronics, and power industry Cleaning fluid, etc. Corrosion-resistant isolation of instrumentation, transmission fluids. Chemical reaction stable diluent or special solvent or reagent. Antioxidant lubricant. Fluorocarbon emulsion artificial blood. Leak detection fluid for electronic components and devices.

Resource:allhdi.com

1-ethyl-2-methylquinolinium iodide

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	069D
Molecular formula	C12H14IN
Molecular weight	299.15
label	1-Ethylmethylquinoline iodide, 1-Ethylquinaldinium iodide

Numbering system

CAS number:606-55-3

MDL number:MFCD00031829

EINECS number:210-120-7

RTECS number:VA0740000

BRN number:None

PubChem number:24856955

Physical property data

None yet

Toxicological data

None yet

Ecological data

3. Ecological data:

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

Molecular structure data

None yet

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 3.9

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 167

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: 2

Properties and stability

Properties and stability:

Under normal temperature and pressure,�No decomposition products.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

4′-Methyl-4-biphenylcarboxylic acid

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	07FA
Molecular formula	C14H12O2
Molecular weight	212.24
label	4′-Methylbiphenyl-4-carboxylic acid, 4-methylbibenzoic acid, 4′-Methyl-(1,1′-biphenyl)-4-carboxylic Acid, 4′-Methyl-4-biphenylcarboxylic acid, aromatic compounds

Numbering system

CAS number:720-73-0

MDL number:MFCD00448778

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 252 -253

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

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

7. Refractive index: undetermined

8. Flashpoint (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: Undetermined

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 62.59

2. Molar volume（m³/ mol）：183.5

3. Equal ratioContent（90.2K)：480.4

4. Surface Tension(dyne/cm)：46.9

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 24.81

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: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7.Chongyuan��Number: 16

8. Surface charge: 0

9. Complexity: 233

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

Resource:allhdi.com