BDMAEE – Page 101

1-phenyl-2,2,2-trifluoroethanol

Published by BDMAEE on 2024-03-28 | Permalink

Structural formula

Business number	04AM
Molecular formula	C8H7F3O
Molecular weight	176.14
label	1-phenyl-2,2,2-trifluoroethanol, (±)α-(trifluoromethyl)benzylalcohol, (R,S)-2,2,2-Trifluoro-1-phenyl-ethanol, 1-Phenyl-2,2,2-trifluorethanol, Benzenemethanol,α-(trifluoromethyl)-,(±)-, α-(Trifluoromethyl)benzylalcohol, (+/-)-ALPHA-(TRIFLUOROMETHYL)BENZYLALCOHOL, ALPHA-(TRIFLUOROMETHYL)BENZYL A

Numbering system

CAS number:340-05-6

MDL number:MFCD00004498

EINECS number:206-429-1

RTECS number:None

BRN number:3197623

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.297

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

Melting point (ºC): Not available

Boiling point (ºC, normal pressure):64-65

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.462

Flash Point (ºC): Not available

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: 37.79

2. Molar Volume (m³/mol）：136.8

3. isotonic specific volume (90.2K):322.8

4. Surface Tension (dyne/cm): 30.9

5. Polarizability(10^-24cm³):14.98

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: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 138

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

Resource:allhdi.com

1,2-bistrifluoromethylbenzene

Published by BDMAEE on 2024-03-28 | Permalink

Structural formula

Business number	04TC
Molecular formula	C8H4F6
Molecular weight	214.11
label	1,2-Bis(trifluoromethyl)benzene, o-Bis(trifluoromethyl)benzene, o-Xylene, alpha,alpha,alpha,alpha’,alpha’,alpha’-hexafluoro-, 1,2-BIS(TRIFLUOROMETHYL)BENZENE, 1,2-BIS(TRIFLUROMETHYL)BENZENE, alpha,alpha,alpha,alpha’,alpha’,alpha’-Hexafluoro-o-xylene, α,α,α,α’,α’,α’-Hexafluoro-o-xylene

Numbering system

CAS number:433-95-4

MDL number:None

EINECS number:207-092-3

RTECS number:None

BRN number:None

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): Not available

Boiling point (ºC, normal pressure):Not available

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): Not available

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

Solubility: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:36.21

2、 Molar volume（m³/mol)：156.4

3、 Isotonic specific volume (90.2K):321.6

4、 Surface tension（dyne/cm)：17.8

5、 Polarizability(10^-24cm³）：14.35

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 169

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

Matrine

Published by BDMAEE on 2024-03-28 | Permalink

Structural formula

Business number	05CA
Molecular formula	C15H24N2O
Molecular weight	248.37
label	Sophocarpidine, matrine, pesticides

Numbering system

CAS number:519-02-8

MDL number:MFCD00210527

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: white powder.

2. Solubility: soluble in water, benzene, chloroform, methanol, ethanol, slightly soluble in petroleum ether.

Toxicological data

1. Acute toxicity: Rat intraperitoneal LD50: 125mg/kg, no detailed description except the lethal dose;

Mouse intraperitoneal LC50: 150mg/kg, no details except the lethal dose Detailed description;

Mouse intravenous LC50: 64850ug/kg, no detailed description except lethal dose;

Mouse intramuscular LC50: 74150ug/kg, except lethal dose No detailed description;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 71.12

2. Molar volume (cm³/mol): 213.3

3. Isotonic specific volume (90.2K ): 562.5

4. Surface tension (dyne/cm): 48.3

5. Polarizability (10^-24cm³)：28.19

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.6

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:

6. Topological molecular polar surface area (TPSA): 23.6

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 356

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 4

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Do not mix with alkaline substances.

Storage method

1. Packages should be stored in a cool, ventilated and dry warehouse. During storage and transportation, be strictly protected from moisture and sunlight, and must not be mixed with food, seeds, or feed. Keep away from fire and heat sources. Avoid contact with skin and eyes, and prevent inhalation through mouth and nose.

Synthesis method

1. Found in the leguminous plant Sophora flavescens.In the roots of �, it is also distributed in plants such as Sophora alopecuroides and Sophora subprostrata. Preparation process: plant raw materials – crushing – extraction – preparation.

Purpose

1. Plant-derived insecticides mainly have contact killing effects and also have stomach poisoning effects. It has a broad insecticidal spectrum and has good control effects on pests such as cabbage caterpillars, aphids, and red spider mites on a variety of crops.

Resource:allhdi.com

Nitrogen reagent

Published by BDMAEE on 2024-03-28 | Permalink

Structural formula

Business number	053F
Molecular formula	C20H16N4
Molecular weight	312.38
label	nitrogen reagent, 1,4-diphenyl-3-(phenylamino)-1H-1,2,4-triazonium hydroxyl salt, 1,4-Diphenyl-endoanilino-dihydrotriazole

Numbering system

CAS number:487-88-7

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined

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

3. Relative steam Density (g/cm³,AIR=1): Undetermined

4. Melting point (ºC):189-190

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/Log value of water) partition coefficient: 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

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.3

2. Number of hydrogen bond donors: 0

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 22.7

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 370

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 sealed and placed in a ventilated, dry environment

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

1H,1H,7H-Iododedecafluoroheptyl ester

Published by BDMAEE on 2024-03-28 | Permalink

Structural formula

Business number	04KN
Molecular formula	C7H3F12I
Molecular weight	441.99
label	1H,1H,7H-Iododedecafluoroheptyl ester, 1H,1H,7H-Iodoperfluoroheptane, aliphatic compounds

Numbering system

CAS number:376-32-9

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 2.044

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

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 78

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.364

Flash Point (ºC): Not available

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: 49.20

2. Molar volume (m³/mol）：228.8

3. isotonic specific volume (90.2K):471.5

4. Surface Tension (dyne/cm):18.0

5, Polarizability（10^-24cm³）：19.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 12

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 348

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

DL-Alanine ethyl ester hydrochloride

Published by BDMAEE on 2024-03-28 | Permalink

Structural formula

Business number	06HV
Molecular formula	C5H12ClNO2
Molecular weight	153.61
label	Phenyl ethyl hydrochloride, Alanine ethyl ester hydrochloride, DL-alpha-alanine ethyl ester hydrochloride, Hydrochloride-DL-alpha-alanine ethyl ester, Ethyl-α-amino propionate hydrochloride, Racemic alanine ethyl ester hydrochloride

Numbering system

CAS number:617-27-6

MDL number:MFCD00013018

EINECS number:210-507-0

RTECS number:None

BRN number:3654425

PubChem number:24845824

Physical property data

1. Physical property data

1. Melting point (ºC): 85-87ºC

2. Properties: white crystal.

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

Toxicological data

None yet

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

5. Molecular property data:

1. Molar refractive index: 30.48

2. Molar volume (cm³/mol): 118.6

3. Isotonic specific volume (90.2K): 282.2

4. Surface tension (dyne/cm): 32.0

5. Polarizability (10^-24cm³): 12.08

Compute chemical data

IV. Calculated chemical data:

1. Hydrophobic parameter calculation reference value (XlogP): 0

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Topological molecular polar surface area (TPSA): 53.9

6. Number of heavy atoms: 8

7. Surface charge: 1

8. Complexity: 82.5

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters: 1

11. Uncertain number of atomic stereocenters: 0

12. Determine the number of chemical bond stereocenters: 0

13. Number of uncertain stereocenters of chemical bonds: 0

14. Number of covalent bond units: 1

Properties and stability

Properties and stability:

The product may not decompose under normal temperature and pressure.

Storage method

Storage:

Seal the container and store it in a sealed main container in a cool, dry place.

Synthesis method

2. Preparation method: obtained by esterification of α-alanine. Put anhydrous ethanol and α-alanine into the reaction pot, and add dry hydrogen chloride gas at room temperature until it is saturated. After the reaction liquid is completely clarified, raise the temperature back toStreaming 4h. Evaporate excess ethanol to dryness. That is, DL-alanine ethyl ester hydrochloride is obtained.

Purpose

1. Intermediate of vitamin B6.

2. Biochemical research.

Resource:allhdi.com

D-cycloserine

Published by BDMAEE on 2024-03-28 | Permalink

Structural formula

Business number	04AL
Molecular formula	C3H6N2O2
Molecular weight	102.09
label	levocycloserine, cycloserine, L-4-amino-3-isoxazolidinone, L-cycloserine, D-4-isoxazolone, Phyllomycin PA-94, Oromycin, (l)-3-isoxazolidinon, (s)-3-isoxazolidinon, H-CYCLOSERINE, L-CYCLOSERINE, L-4-AMINO-3-ISOOXAZOLIDINONE, L-4-AMINO-3-ISOXALOLIDINONE, L-4-AMINO-3-ISOXAZOLIDINONE, S(-)-4-AMINO-3-ISOXAZOLIDINONE

Numbering system

CAS number:339-72-0

MDL number:MFCD0064324

EINECS number:206-427-0

RTECS number:NY2976000

BRN number:80799

PubChem number:24278296

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): 147

Boiling point (ºC, normal pressure): Not available

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): Not available

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

Lower explosion 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: 22.47

2. Molar Volume (m³/mol）：79.8

3. isotonic specific volume (90.2K):201.9

4. Surface Tension (dyne/cm）：40.8

5. Polarizability(10^-24cm³): 8.90

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -1.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 5

6. Topological molecule polar surface area 64.4

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 92.9

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

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

Diethylsilane

Published by BDMAEE on 2024-03-28 | Permalink

Structural formula

Business number	05LV
Molecular formula	C4H12Si
Molecular weight	88.22
label	Diethyl-silan

Numbering system

CAS number:542-91-6

MDL number:MFCD00039877

EINECS number:208-834-9

RTECS number:None

BRN number:1730902

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/ cm³,25/4℃):0.681

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

4. Melting point (ºC):-132

5. Boiling point (ºC,Normal pressure):56

6. Boiling point (ºC,66.70kPa): Undetermined

7. Refractive index:1.391

8. Flash point (ºF):-20

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,55.1 ºC): 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 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

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: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 11.1

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

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

Purpose

None

Resource:allhdi.com

L-Alanyl-2-naphthylamine

Published by BDMAEE on 2024-03-28 | Permalink

Structural formula

Business number	07FC
Molecular formula	C13H14N2O
Molecular weight	214.26
label	L-2-amino-N-α-naphthylpropionamide, L-Alanyl-2-naphthylamine, L-Alanyl-beta-naphthylamine, L-Alanine 2-Naphthylamide, L-2-Amino-2-naphthylpropionamide, For histochemical determination

Numbering system

CAS number:720-82-1

MDL number:MFCD00064969

EINECS number:211-956-5

RTECS number:None

BRN number:None

PubChem number:24890677

Physical property data

1. Properties: white powder.

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

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

4. Melting point (ºC): 100-102

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 rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

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

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. 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: Undetermined.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 66.49

2. Molar volume (cm³/mol): 177.1

3. Isotonic specific volume (90.2K ): 481.0

4. Surface tension (dyne/cm): 54.3

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 26.36

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 7.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bondsAmount: 18

5. Number of tautomers: None

6. Topological molecule polar surface area 87

7. Number of heavy atoms: 25

8. Surface charge: 0

9. Complexity: 380

10. Number of isotope atoms: 0

11. Determine the atoms Number of stereocenters: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

Store sealed and dry.

Synthesis method

None yet

Purpose

1. Histochemical determination of the substrate for aminohydroceratase.

Resource:allhdi.com

2-Amino-3-chlorotrifluorotoluene

Published by BDMAEE on 2024-03-28 | Permalink

Structural formula

Business number	04TB
Molecular formula	C7H5ClF3N
Molecular weight	195.57
label	2-Amino-3-chlorotrifluorotoluene, 2-AMINO-1-CHLORO-3-TRIFLUOROMETHYLBENZENE, 2-AMINO-3-CHLOROBENZOTRIFLUORIDE, 2-AMINO-3-CHLORO-ALFA,ALFA,ALFA-TRIFLUOROTOLUENE, 2-CHLORO-6-TRIFLUOROMETHYLANILINE

Numbering system

CAS number:433-94-3

MDL number:MFCD00272565

EINECS number:207-091-8

RTECS number:None

BRN number:None

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): Not available

Boiling point (ºC, normal pressure): Not possibleUse

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): Not available

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 Character: Not allowed��

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:40.36

2、 Molar volume（m³/mol)：137.1

3、 etc. Zhang Biron (90.2K):326.1

4、 Surface tension（dyne/cm)：31.9

5、 Polarizability(10^-24cm³）：16.00

Compute chemical data

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

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 26

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 159

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