Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2-(Cyanomethyl)benzimidazole
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

4414-88-4

4414-88-4 structure

Name: (2-Benzimidazolyl)acetonitrile
Chemical Name: (2-Benzimidazolyl)acetonitrile
CAS Number: 4414-88-4
Molecular Formula: C₉H₇N₃
Molecular Weight: 157.172
Create Date: 2018-06-21 11:23:25
Modify Date: 2024-01-02 18:38:07

Name	(2-Benzimidazolyl)acetonitrile
Synonyms	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

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

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

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

95-54-5

109-77-3

4414-88-4

Literature: Ciba-Geigy AG Patent: US4064136 A1, 1977 ;

1262791-57-0

~85%

4414-88-4

Literature: Khilya; Baglay; Volovenko Chemistry of Heterocyclic Compounds, 2010 , vol. 46, # 8 p. 934 - 937

105-56-6

95-54-5

~70%

4414-88-4

Literature: Dekhane, Deepak V.; Pawar, Shivaji S.; Gupta, Sunil V.; Shingare, Murlidhar S.; Thore, Shivaji N. Chinese Chemical Letters, 2010 , vol. 21, # 5 p. 519 - 523

95-54-5

36140-83-7

4414-88-4

Literature: Rady, Eman A. El Heterocyclic Communications, 2012 , vol. 18, # 4 p. 215 - 221

95-54-5

107-91-5

~59%

4414-88-4

Literature: Fairley; Tidwell; Donkor; Naiman; Ohemeng; Lombardy; Bentley; Cory Journal of Medicinal Chemistry, 1993 , vol. 36, # 12 p. 1746 - 1753

372-09-8

95-54-5

~50%

4414-88-4

Literature: Das, Jagattaran; Rao, C.V. Laxman; Sastry; Roshaiah; Sankar, P. Gowri; Khadeer, Abdul; Kumar, M. Sitaram; Mallik, Arundhuti; Selvakumar; Iqbal, Javed; Trehan, Sanjay Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 2 p. 337 - 343

74586-48-4

4414-88-4

64-17-5

75-07-0

Literature: Loennberg, Harri; Kaeppi, Rainer Tetrahedron, 1980 , vol. 36, p. 913 - 918

Precursor 7
95-54-5 109-77-3 105-56-6 107-91-5
372-09-8 36140-83-7 74586-48-4
DownStream 9
1032-97-9 144464-15-3 143361-89-1 716-79-0
25184-09-2 118178-52-2 118178-53-3 29518-68-1
27425-55-4

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%

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