4-Bromo-2-methyl-1H-benzimidazole

Basic Information

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CAS Number

20223-87-4

Molecular Formula

C8H7BrN2

Molecular Weight

211.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

397.3℃ at 760 mmHg

SMILES

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CC1=NC2=C(N1)C=CC=C2Br

InChI

InChI=1S/C8H7BrN2/c1-5-10-7-4-2-3-6(9)8(7)11-5/h2-4H,1H3,(H,10,11)

InChIKey

HQNGOOZSFZDLKJ-UHFFFAOYSA-N

LogP

2.63382

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

151

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Bromo-2-methyl-1H-benzimidazole
4-Bromo-2-methylbenzimidazole
4-bromo-2-methyl-1H-benzo[d]imidazole
7-bromo-2-methyl-1H-benzimidazole
4-Brom-2-methyl-1(3)H-benzimidazol
4-bromo-2-methyl-1(3)H-benzoimidazole
RW3282
1H-Benzimidazole, 7-bromo-2-methyl-
HQNGOOZSFZDLKJ-UHFFFAOYSA-N
RP26604
4-bromo-2-methyl-1H-1,3-benzodiazole
AM807448
SY024818
AB0010095
ST24043399
223B874
4-BROMO-2-METHYLBENZIMIDAZOLE
EN300-201246
DB-367465
20223-87-4
Z1269227518
AKOS016005804
7-Bromo-2-methyl-1H-benzimidazole
CS-D1563
J-514671
MFCD11521322
SCHEMBL1701339
DTXSID60578674
DS-16876
SCHEMBL9502126

MDL Number

MFCD11521322

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Bromo-2-methyl-1H-benzimidazole (CAS: 20223-87-4)?

4-Bromo-2-methyl-1H-benzimidazole (CAS: 20223-87-4) is a white crystalline solid with a molecular weight of 234.01 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly towards nucleophiles and electrophiles. It is stable under normal laboratory conditions but may degrade at high temperatures or in the presence of strong reducing agents.

How is 4-Bromo-2-methyl-1H-benzimidazole (CAS: 20223-87-4) typically synthesized?

4-Bromo-2-methyl-1H-benzimidazole (CAS: 20223-87-4) is commonly synthesized via the reaction of bromine with 2-methyl-1H-benzimidazole. The synthesis typically involves the use of anhydrous conditions and a suitable solvent like dichloromethane. The yield is generally around 70-80%, and the reaction is selective due to the high reactivity of the 1H-benzimidazole ring.

What industries use 4-Bromo-2-methyl-1H-benzimidazole (CAS: 20223-87-4)?

4-Bromo-2-methyl-1H-benzimidazole (CAS: 20223-87-4) is used in various industries. It is primarily employed in pharmaceuticals for the synthesis of intermediates and in the electronics industry for the production of semiconductors. The compound is also used in the production of sensors and as a polymer additive for improving material properties.

What precautions should be taken when handling 4-Bromo-2-methyl-1H-benzimidazole (CAS: 20223-87-4)?

When handling 4-Bromo-2-methyl-1H-benzimidazole (CAS: 20223-87-4), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The substance should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled carefully using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.