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5153-70-8

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Basic Information
CAS No.: 5153-70-8
Name: 4'-CHLORO-BETA-NITROSTYRENE
Article Data: 213
Molecular Structure:
Molecular Structure of 5153-70-8 (4'-CHLORO-BETA-NITROSTYRENE)
Formula: C8H6ClNO2
Molecular Weight: 183.594
Synonyms: 1-Chloro-4-[(E)-2-nitroethenyl]benzene;1-Chloro-4-[(E)-2-nitrovinyl]benzene;4-Chloro-β-nitrostyrene;(E)-1-Chloro-4-(2-nitrovinyl)benzene;1-((1E)-2-Nitrovinyl)-4-chlorobenzene;
Density: 1.324 g/cm3
Melting Point: 115℃ (ligroine )
Boiling Point: 299 °C at 760 mmHg
Flash Point: 134.6 °C
Risk Codes: 22-43
Safety: 36/37
PSA: 45.82000
LogP: 3.11060
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Specification

The Benzene, 1-chloro-4-(2-nitroethenyl)-, (E)-, with the CAS registry number 5153-70-8, is also known as (E)-1-Chloro-4-(2-nitrovinyl)benzene. This chemical's molecular formula is C8H6ClNO2 and molecular weight is 183.59. What's more, its systematic name is 1-chloro-4-[(E)-2-nitroethenyl]benzene.

Physical properties of Benzene, 1-chloro-4-(2-nitroethenyl)-, (E)- are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.92; (6)ACD/BCF (pH 7.4): 62.92; (7)ACD/KOC (pH 5.5): 674.84; (8)ACD/KOC (pH 7.4): 674.84; (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: 134.6 °C; (20)Enthalpy of Vaporization: 51.74 kJ/mol; (21)Boiling Point: 299 °C at 760 mmHg; (22)Vapour Pressure: 0.00218 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC=C(C=C1)C(C)C2=CC=CC=C2
(2)InChI: InChI=1S/C16H18/c1-3-14-9-11-16(12-10-14)13(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3
(3)InChIKey: OLEDDXCAZXBUOG-UHFFFAOYSA-N