2-Fluoroterephthalonitrile

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Names

[ CAS No. ]:
1897-53-6

[ Name ]:
2-Fluoroterephthalonitrile

[Synonym ]:
3-Fluoroterephthalonitrile
1,4-Benzenedicarbonitrile,2-fluoro
1,4-Benzenedicarbonitrile, 2-fluoro-
2-fluoro-terephthalonitrile
2,5-dicyanofluorobenzene
2-Fluoro-1,4-benzenedicarbonitrile
Terephthalonitrile,fluoro
2-Fluoroterephthalonitrile

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
280.6±25.0 °C at 760 mmHg

[ Molecular Formula ]:
C8H3FN2

[ Molecular Weight ]:
146.121

[ Flash Point ]:
123.5±23.2 °C

[ Exact Mass ]:
146.028030

[ PSA ]:
47.58000

[ LogP ]:
0.58

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.539

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ1943030
CHEMICAL NAME :
1,4-Benzenedicarbonitrile, 2-fluoro-
CAS REGISTRY NUMBER :
1897-53-6
LAST UPDATED :
199109
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H3-F-N2
MOLECULAR WEIGHT :
146.13

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

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-cyano-2-fluorobenzamide
  • zinc,dicyanide
  • 4-Bromo-2-fluorobenzonitrile
  • Copper cyanide

DownStream

  • 3-amino-1H-indazole-6-carbonitrile
  • 3-AMINO-1,2-BENZISOXAZOLE-6-CARBONITRILE
  • 6-(Aminomethyl)-1,2-benzoxazol-3-amine

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

  • 2-[(4-aminobenzoyl)-benzylamino]ethyl-diethylazanium,chloride
  • 2-methyl-2-methylsulfanylpropanenitrile
  • 2-(4-methoxyphenyl)-4-nitrobenzoic acid
  • 2-(4-methoxyphenyl)-5-methylbenzoic acid
  • 2-(4-methoxyphenyl)-6-methylbenzoic acid
  • 2-(3-Chloropropoxy)-1-methoxy-4-nitrobenzene