2-Chloro-4,5-diaminobenzotrifluoride supplier

Name
2-Chloro-4,5-diaminobenzotrifluoride
EINECS
CAS No. 157590-59-5
Article Data5
CAS DataBase
Density 1.51 g/cm³
Solubility Slightly soluble in water.
Melting Point 61-63 °C
Formula C₇H₆ClF₃N₂
Boiling Point 305.1 °C at 760 mmHg
Molecular Weight 210.586
Flash Point 138.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2-Benzenediamine, 4-chloro-5-(trifluoromethyl)-;4-chloro-5-(trifluoromethyl)benzene-1,2-diamine;
PSA 52.04000
LogP 3.68560

2-Chloro-4,5-diaminobenzotrifluoride Specification

The 2-Chloro-4,5-diaminobenzotrifluoride, also known as 1,2-Benzenediamine, 4-chloro-5-(trifluoromethyl)-, is an organic compound with the formula C₇H₆ClF₃N₂. With the CAS registry number 157590-59-5, its systematic name is 4-chloro-5-(trifluoromethyl)benzene-1,2-diamine. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 2-Chloro-4,5-diaminobenzotrifluoride: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 156.42; (5)ACD/BCF (pH 7.4): 156.53; (6)ACD/KOC (pH 5.5): 1294.79; (7)ACD/KOC (pH 7.4): 1295.67; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 44.6 cm³; (13)Molar Volume: 139.4 cm³; (14)Surface Tension: 40.5 dyne/cm; (15)Density: 1.51 g/cm³; (16)Flash Point: 138.3 °C; (17)Enthalpy of Vaporization: 54.56 kJ/mol; (18)Boiling Point: 305.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000837 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(c(cc1Cl)N)N
(2)InChI: InChI=1/C7H6ClF3N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2
(3)InChIKey: BUSGYQISMPLVIJ-UHFFFAOYAQ

Product Name

2-Chloro-4,5-diaminobenzotrifluoride

2-Chloro-4,5-diaminobenzotrifluoride Specification

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