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Allylbenzene

Allylbenzene structure

CAS No:
300-57-2
Formula:
C9H10
Chemical Name:
Allylbenzene
Synonyms:
Benzene,2-propen-1-yl-;Benzene,allyl-;Benzene,2-propenyl-;2-Propen-1-ylbenzene;Allylbenzene;1-Propene,3-phenyl-;3-Phenylpropene;2-Propenylbenzene;3-Phenyl-1-propene;1-Phenyl-2-propene;1-Benzylethene;NSC 18609;128961-80-8;57807-91-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

colourless liquid Allylbenzene is a colorless, flammable chemical, incompatible with strong oxidizing agents. On decomposition, allylbenzene releases carbon monoxide and carbon dioxide.

Allylbenzene Basic Attributes

Molecular Weight：

118.18

Exact Mass：

118.18

BRN：

1098501

EC Number：

206-095-7

NSC Number：

18609

HScode：

29029080

Characteristics

PSA：

XLogP3：

3.2

Appearance：

Clear colorless to slightly yellow Liquid

Density：

0.893 g/cm³ @ Temp: 20 °C

Melting Point：

-40 °C

Boiling Point：

156 °C

Flash Point：

92 °F

Refractive Index：

1.512

Water Solubility：

H2O: insoluble

Storage Conditions：

Flammables area

Toxicity：

Oral-rat LDL0: 4620 mg/kg; Oral-Mouse LD50: 2900 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 3295 3/PG 3

wgk germany：

hazard class code：

10-65

safety instructions：

23-24/25-62-16

RTECS Number：

CY2275000

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Stability/Shelf Life：

Stable. Flammable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Hazard Statements：

H226

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

allylbenzene

Allylbenzene Use and Manufacturing

Methods of Manufacturing

The bromobenzene was made into an ether solution of phenyl magnesium bromide, and then reacted with bromopropene.

Uses

Used in organic synthesis.

Manufacturing Info：

Benzene, 2-propen-1-yl-: ACTIVE

Computed Properties

Molecular Weight:118.18
XLogP3:3.2
Rotatable Bond Count:2
Exact Mass:118.078250319
Monoisotopic Mass:118.078250319
Heavy Atom Count:9
Complexity:78
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Allyl chloride

Chlorobenzene

Dichloromethane

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