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5-Methylbenzimidazole

5-Methylbenzimidazole structure

CAS No:
614-97-1
Formula:
C8H8N2
Chemical Name:
5-Methylbenzimidazole
Synonyms:
1H-Benzimidazole,6-methyl-;Benzimidazole,5-methyl-;1H-Benzimidazole,5-methyl-;Benzimidazole,5(or 6)-methyl-;6-Methyl-1H-benzimidazole;5-Methylbenzimidazole;5-Methyl-1H-benzimidazole;NSC 3826
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

OFF-WHITE POWDER

5-methyl-1H-benzimidazole is a member of the class of imidazoles that is 1H-benzimidazole in which the hydrogen at position 5 is substituted by a methyl group. It derives from a hydride of a 1H-benzimidazole.

5-Methylbenzimidazole Basic Attributes

Molecular Weight：

132.166

Exact Mass：

132.16

EC Number：

210-401-4

UNII：

R56855UC8Y

NSC Number：

3826

DSSTox ID：

DTXSID1060639

HScode：

2933990090

Characteristics

PSA：

28.7

XLogP3：

1.7

Appearance：

WHITE TO LIGHT BROWN POWDER, CRYSTALS OR CRYSTALLINE POWDER AND/OR CHUNKS

Density：

1.2±0.1 g/cm3

Melting Point：

112-113 °C

Boiling Point：

169-172 °C @ Press: 0.1 Torr

Flash Point：

204.0±5.7 °C

Refractive Index：

1.667

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

wgk germany：

hazard class code：

R22

safety instructions：

S22-S24/25-S36

RTECS Number：

DD9275000

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (42.86%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-methylbenzimidazole

5-Methylbenzimidazole Use and Manufacturing

Manufacturing Info：

1H-Benzimidazole, 6-methyl-: ACTIVE

Computed Properties

Molecular Weight:132.16
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:132.068748264
Monoisotopic Mass:132.068748264
Topological Polar Surface Area:28.7
Heavy Atom Count:10
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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