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| CAS No.: | 433-94-3 |
|---|---|
| Name: | 2-Amino-3-chlorobenzotrifluoride |
| Molecular Structure: | |
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|
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| Formula: | C7H5ClF3N |
| Molecular Weight: | 195.572 |
| Synonyms: | 2-Chloro-6-(trifluoromethyl)aniline;2-Amino-3-chlorobenzotrifluoride; |
| EINECS: | 207-091-8 |
| Density: | 1.425 g/cm3 |
| Boiling Point: | 213.2 °C at 760 mmHg |
| Flash Point: | 82.7 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38-65 |
| Safety: | 26-36/37/39 |
| PSA: | 26.02000 |
| LogP: | 3.52220 |
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Specification
The Benzenamine,2-chloro-6-(trifluoromethyl)-, with the CAS registry number 433-94-3, is also known as 2-Amino-3-chlorobenzotrifluoride. Its EINECS registry number is 207-091-8. This chemical's molecular formula is C7H5ClF3N and molecular weight is 195.57. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-6-(trifluoromethyl)aniline.
Physical properties about Benzenamine,2-chloro-6-(trifluoromethyl)- are: (1) ACD/LogP: 3.58; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.58; (4) ACD/LogD (pH 7.4): 3.58; (5) ACD/BCF (pH 5.5): 308.35; (6) ACD/BCF (pH 7.4): 308.35; (7) ACD/KOC (pH 5.5): 2105.07; (8) ACD/KOC (pH 7.4): 2105.07; (9) #H bond acceptors: 1; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 3.24 Å2; (13) Index of Refraction: 1.5; (14) Molar Refractivity: 40.36 cm3; (15) Molar Volume: 137.1 cm3; (16) Surface Tension: 31.9 dyne/cm; (17) Density: 1.425 g/cm3; (18)Flash Point: 71.1 °C; (19) Enthalpy of Vaporization: 43.02 kJ/mol; (20) Boiling Point: 194 °C at 760 mmHg; (21) Vapour Pressure: 0.451 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin and it may cause damage to health by inhalation, in contacting with skin and if swallowed. It may cause lung damage if swallowed. You could not breathe it. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccc(c1N)C(F)(F)F
(2) InChI: InChI=1/C7H5ClF3N/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2
(3) InChIKey: OTRRSPQJZRCMDA-UHFFFAOYAH