2,5-Dimethylphenylacetonitrile

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Names

[ CAS No. ]:
16213-85-7

[ Name ]:
2,5-Dimethylphenylacetonitrile

[Synonym ]:
MFCD00013816
EINECS 240-339-3
2,5-Dimethylbenzyl Cyanide
2-(2,5-Dimethylphenyl)acetonitrile

Chemical & Physical Properties

[ Density]:
0.979g/cm3

[ Boiling Point ]:
73°C 1mm

[ Melting Point ]:
27-29 °C

[ Molecular Formula ]:
C10H11N

[ Molecular Weight ]:
145.20100

[ Flash Point ]:
73°C/1mm

[ Exact Mass ]:
145.08900

[ PSA ]:
23.79000

[ LogP ]:
2.36948

[ Vapour Pressure ]:
0.015mmHg at 25°C

[ Index of Refraction ]:
1.524

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM2675000
CHEMICAL NAME :
Acetonitrile, (2,5-xylyl)-
CAS REGISTRY NUMBER :
16213-85-7
BEILSTEIN REFERENCE NO. :
2084136
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H11-N
MOLECULAR WEIGHT :
145.22
WISWESSER LINE NOTATION :
NC1R B1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
89 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12534

Safety Information

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S37/39-S26

[ RIDADR ]:
3276

[ RTECS ]:
AM2675000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Precursor & DownStream

Precursor

  • 2,5-Dimethylbromobenzene
  • (2,5-Dimethylphenyl)methanol
  • 2,5-Dimethylbenzoic acid
  • 2,5-Dimethylbenzylchloride
  • Sodium cyanide
  • Acetonitrile
  • p-Xylene
  • 2-Chloro-1,4-dimethylbenzene
  • POTASSIUM CYANIDE

DownStream

  • (2,5-Dimethylphenyl)acetic acid
  • 2,5-dimethylphenethylamine
  • 2-(2,5-dimethylphenyl)ethanol
  • 2-(2,5-dimethylphenyl)-3-methyl-butanamide
  • 5,8-dimethylisoquinoline
  • 2,5-Dimethylphenylacetyl chloride

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

  • p-Nitrobenzylidene-2,5-dimethylphenylacetonitrile
  • 2,5-dimethylbenzoyl chloride
  • 2-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
  • 2,5-dithia-7-azabicyclo[2.2.1]heptane
  • 2,5,7-triazabicyclo[2.2.1]heptane
  • 2,5-Bis(hydroxyimino)cyclopentan-1-one
  • 1-(2-methoxyphenyl)-4-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}piperazine
  • 3-[4-(5-Fluoropyrimidin-2-yl)piperazin-1-yl]-1,2-benzothiazole
  • 3-[4-(2-Methylpyrimidin-4-yl)piperazin-1-yl]-1,2-benzothiazole
  • 3-{4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl}-1,2-benzothiazole
  • 2-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]pyridine-4-carbonitrile
  • 6-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
  • 4-benzyl-1-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}piperidine
  • 3-(4-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-1,2-benzothiazole
  • 1-[(3,5-Dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine
  • 4-{[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]methyl}benzonitrile