2,5-Dimethylbenzonitrile

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Names

[ CAS No. ]:
13730-09-1

[ Name ]:
2,5-Dimethylbenzonitrile

[Synonym ]:
EINECS 237-297-3
2,5-dimethylbenzonitrile
MFCD00001793

Chemical & Physical Properties

[ Density]:
0.99g/cm3

[ Boiling Point ]:
226.1ºC at 760mmHg

[ Melting Point ]:
13ºC

[ Molecular Formula ]:
C9H9N

[ Molecular Weight ]:
131.17400

[ Flash Point ]:
95.7ºC

[ Exact Mass ]:
131.07300

[ PSA ]:
23.79000

[ LogP ]:
2.17508

[ Vapour Pressure ]:
0.0831mmHg at 25°C

[ Index of Refraction ]:
1.525

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI4357900
CHEMICAL NAME :
Benzonitrile, 2,5-dimethyl-
CAS REGISTRY NUMBER :
13730-09-1
LAST UPDATED :
199209
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/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 - mouse
DOSE/DURATION :
1700 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

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
26-36/37/39

[ RIDADR ]:
UN 3276

[ HS Code ]:
2926909090

Synthetic Route

Precursor & DownStream

Precursor

  • 2,5-Dimethylbromobenzene
  • N,N-Dimethylformamide
  • Sodium cyanide
  • 2-Iodo-1,4-dimethylbenzene
  • (2,5-Dimethylphenyl)methanol
  • Copper cyanide
  • p-Xylene
  • (6-cyanato-9,10-dioxoanthracen-2-yl) cyanate
  • 2,5-Dimethylbenzoic acid
  • 2,5-Dimethylfuran

DownStream

  • 1-(2,5-Dimethylphenyl)methanamine
  • 2,5-Dimethylbenzaldehyde
  • 2,5-Dimethylbenzoic acid
  • 2,5-bis(bromomethyl)benzonitrile
  • 2',5'-dimethylacetophenone
  • 1-amino-3,7-dimethylnaphthalene-2-carbonitrile

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-bromo-2,5-dimethylbenzonitrile
  • 4-Formyl-2,5-dimethylbenzonitrile
  • 3-Formyl-2,5-dimethylbenzonitrile
  • 4-chloro-2,5-dimethylbenzonitrile
  • 4-methoxy-2,5-dimethylbenzonitrile
  • 4-Hydroxy-2,5-dimethylbenzonitrile