CAS 51-17-2|Benzimidazole

Introduction：Basic information about CAS 51-17-2|Benzimidazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Benzimidazole BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Benzimidazole
CAS Number	51-17-2	Molecular Weight	118.136
Density	1.2±0.1 g/cm3	Boiling Point	360.0±11.0 °C at 760 mmHg
Molecular Formula	C₇H₆N₂	Melting Point	169-171 °C(lit.)
MSDS	/	Flash Point	208.4±5.7 °C

Names

Name	1H-benzimidazole
Synonym	More Synonyms

Benzimidazole BiologicalActivity

Description	Benzimidazole is a heterocyclic aromatic organic compound and acts as an important pharmacophore in medicinal chemistry. Benzimidazole derivatives have been reported to possess various biological activities such as anti-cancer, anti-viral, anti-bacterial, anti-fungal, anti-helmintic, anti-inflammatory, proton pump inhibitor and anti-coagulant property[1][2][3].
Related Catalog	Signaling Pathways >>Anti-infection >>Influenza VirusResearch Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>FungalResearch Areas >>Inflammation/ImmunologySignaling Pathways >>Anti-infection >>Bacterial
References	[1]. V Yerragunta, et al. Benzimidazole Derivatives and Its Biological Importance: A Review, PharmaTutor, 2014, 2(3), 109-113. [2]. Fei F, et al. New substituted benzimidazole derivatives: a patent review (2010 - 2012). Expert Opin Ther Pat. 2013 Sep;23(9):1157-79. [3]. Wang M, et al. New substituted benzimidazole derivatives: a patent review (2013 - 2014). Expert Opin Ther Pat. 2015 May;25(5):595-612.

Description

Benzimidazole is a heterocyclic aromatic organic compound and acts as an important pharmacophore in medicinal chemistry. Benzimidazole derivatives have been reported to possess various biological activities such as anti-cancer, anti-viral, anti-bacterial, anti-fungal, anti-helmintic, anti-inflammatory, proton pump inhibitor and anti-coagulant property[1][2][3].

Related Catalog

Signaling Pathways >>Anti-infection >>Influenza VirusResearch Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>FungalResearch Areas >>Inflammation/ImmunologySignaling Pathways >>Anti-infection >>Bacterial

References

[1]. V Yerragunta, et al. Benzimidazole Derivatives and Its Biological Importance: A Review, PharmaTutor, 2014, 2(3), 109-113.

[2]. Fei F, et al. New substituted benzimidazole derivatives: a patent review (2010 - 2012). Expert Opin Ther Pat. 2013 Sep;23(9):1157-79.

[3]. Wang M, et al. New substituted benzimidazole derivatives: a patent review (2013 - 2014). Expert Opin Ther Pat. 2015 May;25(5):595-612.

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	360.0±11.0 °C at 760 mmHg
Melting Point	169-171 °C(lit.)
Molecular Formula	C₇H₆N₂
Molecular Weight	118.136
Flash Point	208.4±5.7 °C
Exact Mass	118.053101
PSA	28.68000
LogP	1.38
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.697
InChIKey	HYZJCKYKOHLVJF-UHFFFAOYSA-N
SMILES	c1ccc2[nH]cnc2c1
Stability	Stable. Combustible. Incompatible with strong oxidising agents.
Water Solubility	sparingly soluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DD5425000

CHEMICAL NAME :: Benzimidazole

CAS REGISTRY NUMBER :: 51-17-2

BEILSTEIN REFERENCE NO. :: 0109682

LAST UPDATED :: 199701

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C7-H6-N2

MOLECULAR WEIGHT :: 118.15

WISWESSER LINE NOTATION :: T56 BM DNJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 385 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2910 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 445 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 280 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Phage inhibition capacity

TEST SYSTEM :: Bacteria - Escherichia coli

DOSE/DURATION :: 1 gm/L

REFERENCE :: ZAPOAK Zeitschrift fuer Allgemeine Mikrobiologie. (Akademie-Verlag GmbH, Postfach 1233, Berlin DDR-1086 Ger. Dem. Rep.) V.1- 1960- Volume(issue)/page/year: 12,583,1972 *** REVIEWS *** TOXICOLOGY REVIEW MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 32,151,1975

Safety Information

Hazard Codes	Xi:Irritant
Risk Phrases	R36/37/38
Safety Phrases	S37/39-S26
WGK Germany	3
RTECS	DD5425000
HS Code	2933990090

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%

Synonyms

benzimidazol

monobenzimidazole

EINECS 200-081-4

Azindole

Benzoimidazole

1H-Benzo[d]imidazole

BZI

Benziminazole

MFCD00005585

Benzimidazole

CH2-2-benzimidazole

3-Azaindole

Azindol

1H-Benzoimidazole

1H-Benzimidazole

5-23-06-00196 (Beilstein Handbook Reference)

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