158011
Cyclopropylbenzene
97%
Synonym(s):
Phenylcyclopropane
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About This Item
Linear Formula:
C6H5C3H5
CAS Number:
Molecular Weight:
118.18
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
97%
form
liquid
refractive index
n20/D 1.533 (lit.)
bp
173.6 °C/753 mmHg (lit.)
density
0.94 g/mL at 25 °C (lit.)
SMILES string
C1CC1c2ccccc2
InChI
1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
InChI key
VFSFCYAQBIPUSL-UHFFFAOYSA-N
Related Categories
General description
Cyclopropylbenzene is a cyclopropylarene and its oxidation by rabbit liver microsomal cytochrome P-450 has been studied. Gas-phase structure of cyclopropylbenzene has been studied by ab initio computational, microwave spectroscopic and electron diffraction techniques.
Signal Word
Warning
Hazard Statements
Hazard Classifications
Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
111.2 °F - closed cup
Flash Point(C)
44 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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The oxidation of cyclopropyl benzene by rat liver microsomal cytochrome P-450: an unusual triple oxidation of a substrate.
K E Suckling et al.
FEBS letters, 145(2), 179-181 (1982-08-23)
C J Suckling et al.
The Biochemical journal, 232(1), 199-203 (1985-11-15)
The arylcyclopropanes (cyclopropylarenes) cyclopropylbenzene and diphenylcyclopropane are oxidized by rabbit liver microsomal cytochrome P-450, both by the microsomal fraction and by the purified cytochrome in a reconstituted system. The products formed, principally benzoic acid, are due to an unusual triple
Q Shen et al.
The Journal of organic chemistry, 66(17), 5840-5845 (2001-08-21)
Ab initio computational, microwave spectroscopic, and electron diffraction techniques have been used to study the gas-phase structure of cyclopropylbenzene. Theoretical calculations at the HF, B3LYP, and MP2 levels for basis sets 6-31G(d) and 6-311G(d) have been carried out. Both MP2
P Riley et al.
Xenobiotica; the fate of foreign compounds in biological systems, 24(1), 1-16 (1994-01-01)
1. The metabolism of cyclopropylbenzene (1a) and 4-cyclopropylanisole (1b) was studied using liver microsomal preparations from control, phenobarbital- and beta-naphthoflavone treated rats. 2. With all three types of microsomes 1a was metabolized by benzylic hydroxylation to give 1-phenylcyclopropanol and by
P Taavitsainen et al.
Drug metabolism and disposition: the biological fate of chemicals, 29(3), 217-222 (2001-02-22)
Currently, there are no selective, well characterized inhibitors for CYP2A6. Therefore, the effects of trans-(+/-)-2-phenylcyclopropylamine (tranylcypromine), a potent CYP2A6 inhibitor, on human liver microsomal cytochromes P450 (CYP) were studied to elucidate its selectivity. The IC50 value of tranylcypromine in coumarin
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