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CAS No.: | 62476-15-7 |
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Name: | 5-CHLORO-2-(ETHYLAMINO)ANILINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H11ClN2 |
Molecular Weight: | 170.642 |
Synonyms: | o-Phenylenediamine,4-chloro-N1-ethyl- (6CI,7CI);N-Ethyl-4-chloro-1,2-benzenediamine; |
EINECS: | 263-558-6 |
Density: | 1.222 g/cm3 |
Boiling Point: | 320.1 °C at 760mmHg |
Flash Point: | 147.4 °C |
Hazard Symbols: | Xi |
PSA: | 38.05000 |
LogP: | 3.00820 |
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This chemical is called 1,2-Benzenediamine,4-chloro-N1-ethyl-, and it's also named as 1,2-Benzenediamine, 4-chloro-N1-ethyl-. With the molecular formula of C8H11ClN2, its molecular weight is 170.6393. The CAS registry number of this chemical is 62476-15-7.
Other characteristics of the 1,2-Benzenediamine,4-chloro-N1-ethyl- can be summarised as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 21.96; (6)ACD/BCF (pH 7.4): 29.34; (7)ACD/KOC (pH 5.5): 292.23; (8)ACD/KOC (pH 7.4): 390.43; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 49.62 cm3; (15)Molar Volume: 139.6 cm3; (16)Polarizability: 19.67×10-24cm3; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 147.4 °C; (20)Enthalpy of Vaporization: 56.18 kJ/mol; (21)Boiling Point: 320.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000324 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(c(NCC)cc1)N
2.InChI: InChI=1/C8H11ClN2/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2,10H2,1H3
3.InChIKey: BYXHQRLOVDLFCT-UHFFFAOYAN