(2-Benzimidazolyl)acetonitrile

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Names

[ CAS No. ]:
4414-88-4

[ Name ]:
(2-Benzimidazolyl)acetonitrile

[Synonym ]:
1H-Benzimidazol-2-ylacetonitrile
EINECS 224-574-9
(1H-BENZOIMIDAZOL-2-YL)-ACETONITRILE
2-(1H-benzo[d]imidazol-2-yl)acetonitrile
1H-Benzimidazole-2-acetonitrile
MFCD00005601
2-(Cyanomethyl)benzimidazole

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
439.5±28.0 °C at 760 mmHg

[ Melting Point ]:
200-205 °C (dec.)(lit.)

[ Molecular Formula ]:
C9H7N3

[ Molecular Weight ]:
157.172

[ Flash Point ]:
142.5±9.2 °C

[ Exact Mass ]:
157.063995

[ PSA ]:
52.47000

[ LogP ]:
0.94

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.685

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD5650000
CHEMICAL NAME :
2-Benzimidazoleacetonitrile
CAS REGISTRY NUMBER :
4414-88-4
BEILSTEIN REFERENCE NO. :
0128461
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H7-N3
MOLECULAR WEIGHT :
157.19
WISWESSER LINE NOTATION :
T56 BM DNJ C1CN

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 :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Sex chromosome loss and nondisjunction
TEST SYSTEM :
Yeast - Saccharomyces cerevisiae
DOSE/DURATION :
250 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 343,185,1995

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S37/39-S24/25

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
DD5650000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • o-Phenylenediamine
  • Malononitrile
  • Ethyl cyanoacetate
  • 2-Cyanoacetamide
  • Cyanoacetic acid
  • 1H-Pyrazole-1-propanenitrile,3,5-dimethyl-b-oxo-
  • 2-(1-(1-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)acetonitrile

DownStream

  • 3-(1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
  • 4-amino-5-(1H-benzimidazol-2-yl)-3-prop-2-enyl-1,3-thiazole-2-thione
  • 3-(1H-BENZOIMIDAZOL-2-YL)-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YLAMINE
  • 2-Phenyl-1H-benzo[d]imidazole
  • 1H-Benzimidazole-2-acetonitrile,1-ethyl-(9CI)
  • 1-ethyl-2-(α-cyanopropyl)benzimidazole
  • 1,3-diethyl-2-cyanomethylene-2,3-dihydrobenzimidazoline
  • 2-(1H-Benzo[d]imidazol-2-yl)ethanamine
  • COUMARIN 7

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 1H-Benzimidazole-2-acetonitrile,alpha-(hydroxyimino)-1-methyl-(9CI)
  • 2-benzimidazolyl 2,3,5-tri-O-acetyl-6-deoxy-6-fluoro-1-thio-β-D-galactofuranoside
  • (2-benzimidazolyl)(4'-methylphenyl)carbinol
  • ((2-benzimidazolyl)methyl)-bis-((2-pyridyl)methyl)amine
  • 2-benzimidazolyl 6-deoxy-6-fluoro-1-thio-β-D-galactofuranoside
  • 2-benzimidazolyl 1-thio-β-D-galactofuranoside