ChemicalBook--->CAS DataBase List--->326-62-5

326-62-5

326-62-5 Structure

326-62-5 Structure
IdentificationMore
[Name]

2-Fluorobenzyl cyanide
[CAS]

326-62-5
[Synonyms]

2-FLUOROBENZYL CYANIDE
2-FLUOROPHENYLACETONITRILE
O-FLUOROPHENYLACETONITRILE
2-fluoro-benzeneacetonitril
Acetonitrile, (o-fluorophenyl)-
o-Fluorobenzyl cyanide
2-Fluorophdnylacetonitrile
2-Fluorophenylacetonitrile 2-Fluorobenzyl Cyanide o-Fluorobenzyl Cyanide
2-Fluorophenylacetonitrile, 97+%
2-Fluorophenylacetonitrile 99%
2-Fluorophenylacetonitrile99%
2-fluoro-benzeneacetonitrile
o-Fluorobenzyl nitrile
[EINECS(EC#)]

206-313-0
[Molecular Formula]

C8H6FN
[MDL Number]

MFCD00001897
[Molecular Weight]

135.14
[MOL File]

326-62-5.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellow-brownish liquid
[Boiling point ]

114-117 °C/20 mmHg (lit.)
[density ]

1.059 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.5009(lit.)
[Fp ]

110 °F
[storage temp. ]

Flammables area
[form ]

clear liquid
[color ]

Colorless to Red to Green
[Specific Gravity]

1.14
[BRN ]

1862361
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[InChI]

1S/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
[InChIKey]

DAVJMKMVLKOQQC-UHFFFAOYSA-N
[SMILES]

Fc1ccccc1CC#N
[CAS DataBase Reference]

326-62-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneacetonitrile, 2-fluoro-(326-62-5)
[EPA Substance Registry System]

326-62-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn,T,Xi,F
[Risk Statements ]

R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[Hazard Note ]

Toxic
[TSCA ]

T
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2-(2-Fluoro-phenyl)-ethanesulfonyl chloride-->3-Fluorophenylacetonitrile-->Methyl 2-fluorophenylacetate-->Succinonitrile-->1-(2-fluorophenyl)cyclobutanecarbonitrile-->Methyl 5-cyano-5-(2-fluorophenyl)-2-oxocyclohexanecarboxylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Fluorobenzyl cyanide(326-62-5).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellow-brownish liquid
[Uses]

2-Fluorophenylacetonitrile was used in the synthesis of (Z)-2-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)acrylonitrile.
[Synthesis]

189g o-fluorobenzyl bromide (1 mol) was dissolved in a solution consisting of 500mL of toluene and 500mL of water, 58.8g of sodium cyanide (1.2 mol) was added, stirring to dissolve, and then 7.4g of tetrabutylammonium bromide (0.02 mol) was added to form
Spectrum DetailBack Directory
[Spectrum Detail]

2-Fluorobenzyl cyanide(326-62-5)MS
2-Fluorobenzyl cyanide(326-62-5)1HNMR
2-Fluorobenzyl cyanide(326-62-5)13CNMR
2-Fluorobenzyl cyanide(326-62-5)IR1
2-Fluorobenzyl cyanide(326-62-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Fluorophenylacetonitrile, 97%(326-62-5)
[Alfa Aesar]

2-Fluorophenylacetonitrile, 97%(326-62-5)
[Sigma Aldrich]

326-62-5(sigmaaldrich)
[TCI AMERICA]

2-Fluorobenzyl Cyanide,>97.0%(GC)(326-62-5)
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