4-Fluoroisophthalonitrile

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Names

[ CAS No. ]:
13519-90-9

[ Name ]:
4-Fluoroisophthalonitrile

[Synonym ]:
4-Fluoroisophthalonitrile
4-fluorobenzene-1,3-dicarbonitrile
1,3-Benzenedicarbonitrile, 4-fluoro-

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
241.9±20.0 °C at 760 mmHg

[ Molecular Formula ]:
C8H3FN2

[ Molecular Weight ]:
146.121

[ Flash Point ]:
100.1±21.8 °C

[ Exact Mass ]:
146.028030

[ PSA ]:
47.58000

[ LogP ]:
0.67

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.539

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ1943000
CHEMICAL NAME :
1,3-Benzenedicarbonitrile, 4-fluoro-
CAS REGISTRY NUMBER :
13519-90-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H3-F-N2
MOLECULAR WEIGHT :
146.13
WISWESSER LINE NOTATION :
NCR BF ECN

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 :
178 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

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

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%

Related Compounds

  • 4-chlorooxolan-3-ol,formic acid
  • 4-Amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide
  • 4-(4-Chlorophenyl)-4-Bromopiperide
  • (4-acetyl-3,5-diacetyloxyphenyl) acetate
  • (4-chlorophenyl)-[1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]methanone,chloride
  • 4-amino-N-(1-phenylcyclopentyl)benzamide
  • (1S)-2-methoxy-1-(1H-1,2,3-triazol-5-yl)ethan-1-ol
  • Sodium 3-methyl-2-oxo-1,2-dihydroquinoline-6-sulfinate
  • methyl 5-fluoro-2-[(4-formyl-3-methyl-1H-pyrazol-1-yl)methyl]benzoate
  • tert-butyl 3-(3,5-dimethyl-1H-pyrazol-1-yl)piperidine-1-carboxylate
  • 6-fluoro-1,3-dimethyl-2,3,4,9-tetrahydro-1H-carbazole
  • N-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-2-carboxamide
  • Tert-butyl 3-[ethoxy(propan-2-yl)amino]piperidine-1-carboxylate
  • 2-[4-Fluoro-3-(trifluoromethyl)phenyl]-4-(propan-2-yl)-1,3-thiazole
  • N-ethyl-1,4-dimethyl-1H-1,2,3-triazole-5-sulfonamide
  • 3-Thia-1,7-diazaspiro[4.4]nonan-6-one
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