4-Fluorobenzonitrile

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Names

[ CAS No. ]:
1194-02-1

[ Name ]:
4-Fluorobenzonitrile

[Synonym ]:
DI4368500 [RTECS]
4-Fluorobenzonitrile
PFBN
MFCD00001812
p-Fluorobenzonitrile
Benzonitrile,4-fluoro
NCR DF
EINECS 214-784-9
4-fluorobenzenecarbonitrile
Benzonitrile, 4-fluoro-
p-Cyanofluorobenzene
para-fluorocyanobenzene
BENZONITRILE,p-FLUORO
4-CYANOFLUOROBENZENE
4-fluoro-benzonitrile
1-Cyano-4-fluorobenzene
para-fluorobenzonitrile
4-fluorocyanobenzene
para-cyano fluorobenzene

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
189.6±13.0 °C at 760 mmHg

[ Melting Point ]:
32-34 °C(lit.)

[ Molecular Formula ]:
C7H4FN

[ Molecular Weight ]:
121.112

[ Flash Point ]:
65.6±0.0 °C

[ Exact Mass ]:
121.032776

[ PSA ]:
23.79000

[ LogP ]:
1.70

[ Vapour Pressure ]:
0.6±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.511

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI4368500
CHEMICAL NAME :
Benzonitrile, p-fluoro-
CAS REGISTRY NUMBER :
1194-02-1
LAST UPDATED :
199701

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,906,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 41,41,1986

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S36/37-S36/37/39-S26

[ RIDADR ]:
UN 1325 4.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
DI4368500

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29269095

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • p-Fluorobenzaldehyde oxime
  • 2-(4-Fluorophenyl)oxirane
  • Ethyl 4-Fluorobenzoate
  • 4-Chlorobenzonitrile
  • 4-Nitrobenzonitrile
  • N,N-Dimethylformamide
  • 1-Bromo-4-fluorobenzene
  • 4-Fluorobenzamide
  • 4-Fluorobenzylamine
  • 4-(3,3-diethyltriaz-1-en-1-yl)benzonitrile

DownStream

  • 1-(4-fluorophenyl)octan-1-one
  • 2-(4-fluorophenyl)-1,4-dimethyl-5-nitro-imidazole
  • 2-(hydroxymethyl)-1-benzothiophene-5-carbonitrile
  • 2-[2-(4-fluorophenyl)-1-methyl-5-nitroimidazol-4-yl]ethanol
  • 2-(4-fluorophenyl)-1,5-dimethyl-4-nitroimidazole
  • p-Fluoropropiophenone
  • 4-(Ethylamino)benzonitrile
  • 5-(4-fluoro-phenyl)-2H-tetrazole
  • [4-(4-methylpiperidin-1-yl)phenyl]methanamine
  • 4-n-butoxybenzonitrile

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Actinide-mediated coupling of 4-fluorobenzonitrile: synthesis of an eight-membered thorium(IV) tetraazametallacycle.

Chem. Commun. (Camb.) (10) , 1029-31, (2007)

An eight-membered thorium(IV) tetraazamacrocycle is produced by the sequential, metal-mediated coupling of four equivalents of 4-fluorobenzonitrile; its formation is consistent with the involvement of...

Poly (triphenylamine) s derived from oxidative coupling reaction: Substituent effects on the polymerization, electrochemical, and electro-optical properties. Lin H-Y and Liou G-S.

J. Polym. Sci. A Polym. Chem. 47(1) , 285-294, (2009)


More Articles

Related Compounds

  • 4-Fluorobenzonitrile-d2
  • d4-4-fluorobenzonitrile
  • 2-Iodo-4-fluorobenzonitrile
  • 2-Amino-4-fluorobenzonitrile
  • 3-Amino-4-fluorobenzonitrile
  • 3-NITRO-4-FLUOROBENZONITRILE
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine