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Chemical Product CAS:300-57-2allylbenzene

CAS:300-57-2
allylbenzene

  • CAS No:

    300-57-2
  • Name:

    allylbenzene
  • Molecular Formula:

    C9H10
  • Molecular Weight:

    118.18
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allylbenzene ( CASNO:300-57-2 )

Identification and Related Records
Name:
allylbenzene
CAS Registry number:
300-57-2
Synonyms:
Benzene,2-propenyl- (9CI)
Benzene, allyl- (8CI)
1-Benzylethene
1-Phenyl-2-propene
1-Propene, 3-phenyl-
2-Propenylbenzene
3-Phenyl-1-propene
3-Phenylpropene
Allylbenzene
NSC 18609
EINECS(EC#):
206-095-7
Molecular Formula:
C9H10
Molecular Weight:
118.18
Inchi:
InChI=1/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
InChIKey:
HJWLCRVIBGQPNF-UHFFFAOYSA-N
Canonical SMILES:
C=CCC1=CC=CC=C1
Chemical and Physical Properties
Appearance:
clear, colorless liquid
Density:
0.892
Melting Point:
-40 deg C
Boiling Point:
156-157℃
Refractive Index:
1.51-1.512
Flash Point:
33℃
Water:
insoluble
Solubilities:
insoluble in water
Computed Properties:
Molecular Weight:118.1757 [g/mol]
Molecular Formula:C9H10
XLogP3:3.2
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:2
Exact Mass:118.07825
MonoIsotopic Mass:118.07825
Topological Polar Surface Area:0
Heavy Atom Count:9
Formal Charge:0
Complexity:78
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:7
Safety and Handling
Hazard Codes:
Xn:Harmful;
Risk Statements:
R10;R65
Safety Statements:
S23;S24/25;S62
Transport:
UN 3295
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