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β-Nitrostyrene

β-Nitrostyrene structure

CAS No:
102-96-5
Formula:
C8H7NO2
Chemical Name:
β-Nitrostyrene
Synonyms:
Benzene,(2-nitroethenyl)-;Styrene,β-nitro-;(2-Nitroethenyl)benzene;ω-Nitrostyrene;β-Nitrostyrene;1-Phenyl-2-nitroethene;1-Nitro-2-phenylethylene;(2-Nitrovinyl)benzene;2-Nitro-1-phenylethylene;1-Nitro-2-phenylethene;2-Phenyl-1-nitroethene;NSC 9809
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

yellow crystalsYellow prisms (from ethanol) or yellow crystalline solid.

β-Nitrostyrene Basic Attributes

Molecular Weight：

149.15

Exact Mass：

149.15

EC Number：

203-066-0

Characteristics

PSA：

45.8

XLogP3：

2.1

Appearance：

Beta-nitrostyrene appears as yellow prisms (from ethanol) or yellow crystalline solid. (NTP, 1992)

Density：

1.2517 (rough estimate)

Melting Point：

203 °C @ Solvent: Acetone

Boiling Point：

120 °C @ Press: 1 Torr

Flash Point：

117.5ºC

Refractive Index：

1.5320 (estimate)

Water Solubility：

TRANS-BETA-NITROSTYRENE may be sensitive to prolonged exposure to air. Insoluble in water.

Vapor Pressure：

0.01 mm Hg at 25 deg C (est)

Toxicity：

orl-musLDLO:710mg/kgAECTCV 14,111,85

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

RTECS Number：

WL5460000

Marks：

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. May be sensitive to prolonged exposure to air.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

Computed Properties

Molecular Weight:149.15
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:149.047678466
Monoisotopic Mass:149.047678466
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:154
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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102-96-5 [(E)-2-nitroethenyl]benzene

CAS No.: 102-96-5

Grade: Industrial Grade

Content: 95%

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