2-(2-Fluorophenyl)-2-methylpropanenitrile

HCID 178871440CAS 913720-00-0
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Basic information

Standard SMILES
CC(C)(C#N)c1ccccc1F
InChIKey
QZCCOHXKEJLCGX-UHFFFAOYSA-N
Molecular formula
C10H10FN
Average molar mass
163.19 g/mol

Names & identifiers

Preferred name
2-(2-Fluorophenyl)-2-methylpropanenitrile
IUPAC
2-(2-fluorophenyl)-2-methylpropanenitrile
English name
Benzeneacetonitrile, 2-fluoro-alpha,alpha-dimethyl-
Molecular formula
C10H10FN
Molecular weight
163.19

Names & synonyms

2-(2-fluorophenyl)-2-methylpropanenitrile913720-00-02-(2-Fluorophenyl)-2-methylpropionitrileMFCD11036553Benzeneacetonitrile, 2-fluoro-alpha,alpha-dimethyl-SCHEMBL780814SCHEMBL30966621QZCCOHXKEJLCGX-UHFFFAOYSA-NAKOS010815779HS-3578SY489773EN300-1844319
Show more names
2-Fluoro-α,α-dimethylbenzeneacetonitrileBenzeneacetonitrile, 2-fluoro-α,α-dimethyl-

Database identifiers

CAS
913720-00-0

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
245.1 · 245.1±15.0 °C(Predicted)
Density
1.061 · 1.061±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers7 total

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]

Related reactions

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