Benzene,(1E)-1-propen-1-yl-

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Names

[ CAS No. ]:
873-66-5

[ Name ]:
Benzene,(1E)-1-propen-1-yl-

[Synonym ]:
MFCD00009280
TRANS-β-METHYLSTYRENE
EINECS 212-848-0

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
167.5±0.0 °C at 760 mmHg

[ Melting Point ]:
-29 °C

[ Molecular Formula ]:
C9H10

[ Molecular Weight ]:
118.176

[ Flash Point ]:
60.0±0.0 °C

[ Exact Mass ]:
118.078247

[ LogP ]:
3.22

[ Vapour Pressure ]:
2.2±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.560

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA8400500
CHEMICAL NAME :
Benzene, propenyl-, (E)-
CAS REGISTRY NUMBER :
873-66-5
BEILSTEIN REFERENCE NO. :
1361672
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H10
MOLECULAR WEIGHT :
118.19
WISWESSER LINE NOTATION :
2U1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
1 mmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 116,379,1983

Safety Information

[ Hazard Codes ]:
Xn: Harmful;N: Dangerous for the environment;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S16-S26-S36/37/39-S61-S62

[ RIDADR ]:
UN 2618 3/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
DA8400500

[ Packaging Group ]:
III

[ Hazard Class ]:
3.2

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzene,[[(1E)-1-methyl-2-phenylethenyl]sulfonyl]-
  • Allylbenzene
  • Benzene, [(1E)-2-bromoethenyl]-
  • Methylmagnesium chloride
  • phenylpropyne
  • 4-Chlorostyrene
  • methyl iodide
  • carbon monoxide
  • 1-(3-phenyl-2-propenyl)-4-phenyl-1,2,3-triazole

DownStream

  • d-benzphetamine
  • Diethyl (1-phenylpropyl)malonate
  • ethyl 2-ethoxycarbonyl-3-methyl-4-phenylbutanoate
  • ethylbenzylamine
  • 1-phenylpropylamine
  • L-(−)-Norpseudoephedrine
  • Cathine
  • 4-(Methylamino)benzonitrile
  • N,N'-dimethyl-N,N'-bis-(p-cyanophenyl)hydrazine

Related Compounds

  • β-Methylstyrene
  • Benzene, [(1E)-3-(methoxymethoxy)-1-propen-1-yl]
  • Benzene, 1-ethoxy-2,3-difluoro-4-[(trans,trans)-4'-(1E)-1-propen-1-yl[1,1'-bicyclohexyl]-4-yl]-
  • 2-[(1E)-1-Propen-1-yl]pyridine
  • 9-Propenyladenine
  • Tributyl[(1E)-1-propen-1-yl]stannane
  • 2-Methyl-4-(methylsulfonyl)-1-trityl-1H-imidazole
  • 3-Amino-1H-indol-5-ol
  • (R)-Benzyl 2-hydroxy-3-(4-hydroxyphenyl)propanoate
  • Methanone, bis[4-(1,1-dimethylethyl)phenyl]-, phenylhydrazone
  • 4-(tert-Butyl)-3-(cyclopropylmethoxy)aniline
  • ethyl (2R,3S)-3-hydroxypyrrolidine-2-carboxylate
  • N-(6-Aminopyrimidin-4-yl)cyclopropanecarboxamide
  • (R)-2,2,2-Trifluoro-N-(3-(4-phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)acetamide
  • Ethyl 2-methoxy-5-(sulfamoylmethyl)benzoate
  • 5-(3,5-difluorophenyl)-1H-pyrazol-4-amine
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