Terephthalonitrile

Suppliers

Names

[ CAS No. ]:
623-26-7

[ Name ]:
Terephthalonitrile

[Synonym ]:
1,4-Benzenedicarbonitrile
EINECS 210-783-2
MFCD00001810
p-dicyanobenzene
benzene-1,4-dicarbonitrile
1,4-Dicyanobenzene
Benzol-1,4-dicarbonitril
Terephthalonitrile

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
289.6±23.0 °C at 760 mmHg

[ Melting Point ]:
221-225 °C(lit.)

[ Molecular Formula ]:
C8H4N2

[ Molecular Weight ]:
128.131

[ Flash Point ]:
142.8±16.5 °C

[ Exact Mass ]:
128.037445

[ PSA ]:
47.58000

[ LogP ]:
0.97

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

[ Index of Refraction ]:
1.566

[ Stability ]:
Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.

[ Water Solubility ]:
0.08 g/L (23 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ1925000
CHEMICAL NAME :
1,4-Benzenedicarbonitrile
CAS REGISTRY NUMBER :
623-26-7
LAST UPDATED :
199710
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C8-H4-N2
MOLECULAR WEIGHT :
128.14
WISWESSER LINE NOTATION :
NCR DCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,905,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>6400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4004 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - muscle weakness Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 48,23,1990
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 :
699 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
INHEAO Industrial Health. (National Institute of Industrial Health, 6-21-1 Nagao, Tama-ku, Kawasaki, 213 Japan) V.1- 1963- Volume(issue)/page/year: 4,11,1966

Safety Information

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

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S24/25

[ RIDADR ]:
3439

[ WGK Germany ]:
2

[ RTECS ]:
CZ1925000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
29269095

Synthetic Route

Precursor & DownStream

Precursor

  • 1,4-Xylyl Diazide
  • p-Xylene
  • 4-Cyanobenzaldehyde
  • 4-cyano-N-(2,4,4-trimethylpentan-2-yl)benzamide
  • 1,4-benzenedicarboxaldehyde bis(dimethylhydrazone)
  • 1,4-Benzenedimethanol
  • benzyl thiocyanate
  • 4-Cyanophenylboronic acid
  • 4-Cyanobenzamide

DownStream

  • 4,4'-Dicyanobiphenyl
  • Butylbenzene
  • 4-Butyl-4’-cyanobiphenyl
  • 4-Butyl-Benzonitrile
  • 1-butyl-1-cyanocyclohexa-2,5-diene
  • 3,6-dimethylbenzene-1,2-diamine
  • 4-Cyanobenzylamine
  • 1,4-Bisbenzil
  • Terephthalonitrile
  • nitrobenzene

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%

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Related Compounds

  • terephthalonitrile oxide
  • amino-terephthalonitrile
  • Terephthalonitrile,fluoro
  • 2-IODO-TEREPHTHALONITRILE
  • methyl-terephthalonitrile
  • 2-Formyl-terephthalonitrile
  • 3-Hydroxy-3-(2-methoxy-5-nitrophenyl)propanoic acid
  • 3-(2,3-dihydro-1H-inden-4-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
  • 1-[1-(3-Fluoro-4-nitrophenyl)cyclopropyl]ethan-1-amine
  • tert-butyl N-[5-chloro-2-(1-cyanocyclopropyl)phenyl]carbamate
  • tert-butyl N-[2-(2-fluoro-1-hydroxyethyl)-5-(trifluoromethyl)phenyl]carbamate
  • 4-(Aminomethyl)-4-(2-phenylpropan-2-yl)cyclohexan-1-ol
  • 4,4-Difluoro-1-[2-(3-fluorophenoxy)ethyl]cyclohexan-1-amine
  • 2-(1-Benzothiophen-2-yl)ethane-1-sulfonyl fluoride
  • 4-(2,2,3,3-Tetramethylcyclopropyl)-1,3-oxazolidin-2-one
  • (2R)-1-[3-methoxy-5-(methoxymethyl)-2-methylpyridin-4-yl]propan-2-ol
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