4-Fluorobenzonitrile

Suppliers

Names

[ 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)