3,4-Dimethylbenzonitrile

Suppliers

Names

[ CAS No. ]:
22884-95-3

[ Name ]:
3,4-Dimethylbenzonitrile

[Synonym ]:
MFCD00016380
Benzonitrile, 3,4-dimethyl-
3,4-Dimethylbenzonitrile
3,4-o-xylonitrile
Benzonitrile,3,4-dimethyl
EINECS 245-293-8
3,4-Dimethyl-1-benzonitrile
3,4-dimethylbenzylnitrile
3,4-dimethylbenzenecarbonitrile
4-Cyano-o-xylene
3,4-dimethyl-benzonitrile
3,4-Dimethyl-benzonitril
1,2-Dimethyl-4-cyanobenzene

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
253.5±9.0 °C at 760 mmHg

[ Melting Point ]:
67 °C

[ Molecular Formula ]:
C9H9N

[ Molecular Weight ]:
131.174

[ Flash Point ]:
107.1±11.2 °C

[ Exact Mass ]:
131.073502

[ PSA ]:
23.79000

[ LogP ]:
2.58

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

[ Index of Refraction ]:
1.526

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI4357500
CHEMICAL NAME :
Benzonitrile, 3,4-dimethyl-
CAS REGISTRY NUMBER :
22884-95-3
BEILSTEIN REFERENCE NO. :
0970523
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H9-N
MOLECULAR WEIGHT :
131.19

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 ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
3276

[ RTECS ]:
DI4357500

[ Packaging Group ]:
III

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3,4-Dimethylbromobenzene
  • N,N-Dimethylformamide
  • 3,4-dimethylbenzyl alcohol
  • zinc,dicyanide
  • (3,4-Dimethylphenyl)boronic acid
  • Paraxylic Acid
  • o-xylene
  • (6-cyanato-9,10-dioxoanthracen-2-yl) cyanate
  • Copper cyanide
  • 3,4-Dimethylaniline

DownStream

  • 3,4-Dimethylbenzaldehyde
  • 2,6-dimethylbenzonitrile
  • 2,3-Dimethylbenzonitrile
  • (2E)-3-(3,4-Dimethylphenyl)acrylic acid
  • 3,4-dimethylbenzylamine
  • 3,4-Dimethylacetophenone
  • 1-(3,4-Dimethylphenyl)ethanol
  • Benzamide, N,3,4-trimethyl- (7CI,8CI,9CI)
  • 3,4-DIMETHYL-THIOBENZAMIDE
  • ethyl 3,4-dimethylbenzenecarboximidate

Preparation


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

  • 3,4,5-tridodecoxybenzoic acid
  • 3-(4-methoxyanilino)pyridine-4-carboxylic acid
  • [3,4-diacetyloxy-5-(2-amino-6-fluoro-purin-9-yl)oxolan-2-yl]methyl acetate
  • (3,4-diacetyloxy-5-purin-9-yl-oxolan-2-yl)methyl acetate
  • 3,4-dimethyl-2-phenyl-1H-pyrrole
  • 3-[4-(1-benzyltetrazol-5-yl)oxyphenyl]-1,1-dimethylurea