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459-22-3

459-22-3 Structure

459-22-3 Structure
IdentificationMore
[Name]

4-Fluorophenylacetonitrile
[CAS]

459-22-3
[Synonyms]

4-FLUOROBENZYL CYANIDE
4-FLUOROBENZYLNITRILE
4-FLUOROPHENYLACETONITRILE
PARA-FLUOROBENZYL CYANIDE
P-FLUOROBENZYL CYANIDE
P-FLUOROPHENYLACETONITRILE
(p-fluorophenyl)-acetonitril
4-fluoro-benzeneacetonitril
4-Fluorobenzeneacetonitrile
4-Fluorophenylaceticacidnitrile
Acetonitrile, (p-fluorophenyl)-
Benzeneacetonitrile, 4-fluoro-
para-Fluorophenylacetonitrile
4-Fluorobenzyl Cyanide p-Fluorobenzyl Cyanide
4-Fluorophenylacetonitrile,97%
4-Fluorobenzyl
4-Fluorophenylacetonitrile 98%
4-Fluorophenylacetonitrile98%
4-FLUOROPHENYLACETONITRILE, 99+%
4-Fluoroacetonitrile
[EINECS(EC#)]

207-286-8
[Molecular Formula]

C8H6FN
[MDL Number]

MFCD00001917
[Molecular Weight]

135.14
[MOL File]

459-22-3.mol
Chemical PropertiesBack Directory
[Appearance]

Clear light yellow liquid
[Melting point ]

86°C
[Boiling point ]

119-120 °C/18 mmHg (lit.)
[density ]

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

n20/D 1.5002(lit.)
[Fp ]

227 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Liquid
[color ]

Clear colorless to light yellow
[BRN ]

1907764
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[InChI]

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

JHQBLYITVCBGTO-UHFFFAOYSA-N
[SMILES]

C1(CC#N)=CC=C(F)C=C1
[CAS DataBase Reference]

459-22-3(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Fluorophenylacetic acid nitrile(459-22-3)
[EPA Substance Registry System]

459-22-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

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

P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn,T,Xi
[Risk Statements ]

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 ]

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 3276 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

AM0210000
[Hazard Note ]

Toxic
[TSCA ]

T
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

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

4-Cyano-4-(4-fluorophenyl)cyclohexanone-->1-Boc-4-(4-formylphenyl)piperazine-->3-Fluorophenylacetonitrile-->Succinonitrile-->2-(4-Fluoro-phenyl)-ethanesulfonyl chloride-->ethyl 2-(4-fluorophenyl)acetimidate hydrochloride-->2-(4-Fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Fluorophenylacetonitrile(459-22-3).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear light yellow liquid
[Uses]

4-Fluorophenylacetonitrile is used as a reagent in the synthesis of novel Daidzein analogs which exhibit anti-influenza activity in vitro. It is also used as a reagent in the synthesis of benzylbenzo[d]thiazole sulfonamides which exhibit anti-inflammatory activity.
[General Description]

4-Fluorophenylacetonitrile is starting reagent in the synthesis of 1-Alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives.
[Biochem/physiol Actions]

4-Fluorophenylacetonitrile undergoes biotransformation to 4-Fluorophenylacetic acid by marine fungi, Aspergillus sydowii Ce19.
[Synthesis]

Add 0.3 mmol of cuprous iodide and 0.3 mL of toluene solvent to the reaction tube and stir for 1 min; then add 0.5 mmol of K4[Fe(CN)6], 1 mmol of p-fluorobenzyl chloride and 0.7 mL of toluene. After sealing the reaction tube, it was stirred at 180 °C for
Spectrum DetailBack Directory
[Spectrum Detail]

4-Fluorophenylacetonitrile(459-22-3)MS
4-Fluorophenylacetonitrile(459-22-3)1HNMR
4-Fluorophenylacetonitrile(459-22-3)13CNMR
4-Fluorophenylacetonitrile(459-22-3)IR1
4-Fluorophenylacetonitrile(459-22-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Fluorophenylacetonitrile, 99%(459-22-3)
[Alfa Aesar]

4-Fluorophenylacetonitrile, 98+%(459-22-3)
[Sigma Aldrich]

459-22-3(sigmaaldrich)
[TCI AMERICA]

4-Fluorobenzyl Cyanide,>98.0%(GC)(459-22-3)
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