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CAS No.: | 850451-72-8 |
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Name: | 2-(5-Amino-2-chlorophenyl)acetonitrile |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H7ClN2 |
Molecular Weight: | 166.61 |
Synonyms: | 2-(5-amino-2-chloro-phenyl)acetonitrile; |
Density: | 1.283 g/cm3 |
Boiling Point: | 341.508 °C at 760 mmHg |
Flash Point: | 160.338 °C |
PSA: | 49.81000 |
LogP: | 2.56948 |
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The Benzeneacetonitrile, 5-amino-2-chloro-, with the CAS registry number 850451-72-8, has the systematic name of 2-(5-amino-2-chloro-phenyl)acetonitrile. And the molecular formula of this chemical is C8H7ClN2. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Benzeneacetonitrile, 5-amino-2-chloro- are as following: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.807; (4)ACD/LogD (pH 7.4): 0.811; (5)ACD/BCF (pH 5.5): 2.413; (6)ACD/BCF (pH 7.4): 2.436; (7)ACD/KOC (pH 5.5): 65.2; (8)ACD/KOC (pH 7.4): 65.822; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.81 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 44.847 cm3; (15)Molar Volume: 129.865 cm3; (16)Polarizability: 17.779×10-24cm3; (17)Surface Tension: 55.131 dyne/cm; (18)Density: 1.283 g/cm3; (19)Flash Point: 160.338 °C; (20)Enthalpy of Vaporization: 58.517 kJ/mol; (21)Boiling Point: 341.508 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1N)CC#N)Cl
(2)InChI: InChI=1/C8H7ClN2/c9-8-2-1-7(11)5-6(8)3-4-10/h1-2,5H,3,11H2
(3)InChIKey: HFHGPZBZORSWGQ-UHFFFAOYAF