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