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3156-34-1

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Basic Information
CAS No.: 3156-34-1
Name: 1-(2-Chlorophenyl)-2-nitroethylene
Article Data: 31
Molecular Structure:
Molecular Structure of 3156-34-1 (1-(2-Chlorophenyl)-2-nitroethylene)
Formula: C8H6 Cl N O2
Molecular Weight: 183.594
Synonyms: Styrene,o-chloro-b-nitro- (7CI,8CI); 2-Chloro-b-nitrostyrene;2-Chloronitrostyrene; NSC 136463; o-Chloro-b-nitrostyrene
Density: 1.324 g/cm3
Melting Point: 45-49 ºC
Boiling Point: 295.3 °C at 760 mmHg
Flash Point: >230 °F
Hazard Symbols:
Risk Codes: R22;R50   
Safety: S36/37;S60;S61
Transport Information: UN 3077
PSA: 45.82000
LogP: 3.11060
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Chemistry

Molecular Structure of 1-(2-Chlorophenyl)-2-nitroethylene (CAS NO.3156-34-1):

IUPAC Name: 1-Chloro-2-[(E)-2-nitroethenyl]benzene
Canonical SMILES: C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl
Isomeric SMILES: C1=CC=C(C(=C1)/C=C/[N+](=O)[O-])Cl
InChI: InChI=1S/C8H6ClNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H/b6-5+
InChIKey: QHKJTRDWAZGBLR-AATRIKPKSA-N
Molecular Weight: 183.59174 [g/mol]
Molecular Formula: C8H6ClNO2
XLogP3: 2.9
H-Bond Donor: 0
H-Bond Acceptor: 2 
Index of Refraction: 1.615
Molar Refractivity: 48.42 cm3
Molar Volume: 138.6 cm3
Surface Tension: 47.9 dyne/cm
Density: 1.324 g/cm3
Flash Point: 132.4 °C
Enthalpy of Vaporization: 51.36 kJ/mol
Boiling Point: 295.3 °C at 760 mmHg
Vapour Pressure: 0.0027 mmHg at 25 °C
Melting Point: 45-49 °C(lit.)
Water Solubility: 79.3 mg/L at 25 °C  
Product Categories: Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks

Safety Profile

Safety Information of 1-(2-Chlorophenyl)-2-nitroethylene (CAS NO.3156-34-1):
Hazard Codes: HarmfulXn,DangerousN
Risk Statements: 22-50 
R22:Harmful if swallowed. 
R50:Very toxic to aquatic organisms.
Safety Statements: 36/37-60-61 
S36/37:Wear suitable protective clothing and gloves. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S60:This material and its container must be disposed of as hazardous waste.
RIDADR: UN 3077 9/PG 3
WGK Germany: 2

Specification

 1-(2-Chlorophenyl)-2-nitroethylene (CAS NO.3156-34-1), its Synonyms are 1-Chloro-2-(2-nitrothenyl)benzene ; Benzene, 1-chloro-2-(2-nitrothenyl)- ; trans-2-Chloro-beta-nitrostyrene ; Styrene,o-chloro-b-nitro- (7CI,8CI) ; 2-Chloro-b-nitrostyrene ; 2-Chloronitrostyrene .