1-(3-Chlorophenyl)-2-nitroethene supplier

Name
1-(3-Chlorophenyl)-2-nitroethene
EINECS
CAS No. 3156-35-2
Article Data37
CAS DataBase
Density 1.324 g/cm³
Solubility
Melting Point 48-52 °C
Formula C₈H₆ClNO₂
Boiling Point 299.9 °C at 760 mmHg
Molecular Weight 183.594
Flash Point 135.2 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Chloro-b-nitrostyrene;Styrene,m-chloro-b-nitro- (6CI,7CI,8CI);1-(m-Chlorophenyl)-2-nitroethylene;1-Chloro-3-(2-nitrovinyl)benzene;m-Chloro-b-nitrostyrene;1-chloro-3-(2-nitroethenyl)benzene;benzene, 1-chloro-3-(2-nitroethenyl)-;
PSA 45.82000
LogP 3.11060

1-(3-Chlorophenyl)-2-nitroethene Specification

The Benzene,1-chloro-3-(2-nitroethenyl)-, with the CAS registry number 3156-35-2, has the systematic name of 1-chloro-3-(2-nitroethenyl)benzene. And the molecular formula of the chemical is C₈H₆ClNO₂. It is harmful if swallowed, therefore, you should wear suitable protective clothing and gloves.

The characteristics of Benzene,1-chloro-3-(2-nitroethenyl)- are as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 72.41; (6)ACD/BCF (pH 7.4): 72.41; (7)ACD/KOC (pH 5.5): 746.23; (8)ACD/KOC (pH 7.4): 746.23; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 48.42 cm³; (15)Molar Volume: 138.6 cm³; (16)Polarizability: 19.19×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.324 g/cm³; (19)Flash Point: 135.2 °C; (20)Enthalpy of Vaporization: 51.83 kJ/mol; (21)Boiling Point: 299.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00207 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(C=C[N+]([O-])=O)ccc1
(2)InChI: InChI=1/C8H6ClNO2/c9-8-3-1-2-7(6-8)4-5-10(11)12/h1-6H
(3)InChIKey: GXQRAWTWDNHGBS-UHFFFAOYAO

Product Name

1-(3-Chlorophenyl)-2-nitroethene

1-(3-Chlorophenyl)-2-nitroethene Specification

Related Products

Hot Products