1H-Benzimidazol-2-ylmethanol

Basic Information

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CAS Number

4856-97-7

Molecular Formula

C8H8N2O

Molecular Weight

148.17 g/mol

EINECS

225-451-2

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

170.0 to 174.0 deg-C

Boiling Point

412.6°C at 760 mmHg

Density

1.1828 (rough estimate)

Flash Point

203.3℃

Refractive Index

1.6000 (estimate)

SMILES

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C1=CC=C2C(=C1)NC(=N2)CO

InChI

InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)

InChIKey

IAJLTMBBAVVMQO-UHFFFAOYSA-N

LogP

1.0552

pKa

11.57±0.10(Predicted)

Topological Polar Surface Area

48.910000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

140

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Storage Conditions

Sealed in dry,Room Temperature

Synonyms & References

English

AC-2928
4856-97-7
AB01097985-03
GEO-00262
NCGC00184187-01
2-Benzimidazolemethanol
2-Benzimidazolemethanol, 97%
DTXSID70197552
MFCD00014560
3-DimEtamino-1,2,4-dithiazole-5-thione
(1H-benzo[d]imidazol-2-yl)methanol
1H-1,3-benzodiazol-2-ylmethanol
H1229
Q-101100
HMS1424A22
InChI=1/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10
NS00031809
2-(Hydroxymethyl)-1H-benzimidazole
1H-benzimidazol-2-ylmethanol
NSC18284
BCP26676
FT-0608821
(2-Benzimidazolyl)methanol
2xiy
UNII-9SZ34H8DY7
2-Hydroxymethylbenzimidazole
FT-0650787
Z56791635
SCHEMBL231417
(1H-1,3-benzodiazol-2-yl)methanol
1H-1,3-Benzimidazole-2-methanol

MDL Number

MFCD00014560

EC Number

225-451-2

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-Benzimidazol-2-ylmethanol (CAS: 4856-97-7)?

1H-Benzimidazol-2-ylmethanol (CAS: 4856-97-7) is a crystalline solid with a molecular weight of approximately 175.21 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound shows limited reactivity, primarily undergoing substitution reactions. It is stable under normal conditions but may degrade under strong acidic or basic conditions.

How is 1H-Benzimidazol-2-ylmethanol (CAS: 4856-97-7) typically synthesized?

1H-Benzimidazol-2-ylmethanol is typically synthesized by reduction of 1H-Benzimidazol-2-one with a reducing agent like sodium borohydride. The reaction proceeds under mild conditions, providing good yields. The use of appropriate catalysts can enhance the selectivity and efficiency of the synthesis process.

What industries use 1H-Benzimidazol-2-ylmethanol (CAS: 4856-97-7)?

1H-Benzimidazol-2-ylmethanol is used in various industries. It is employed as an intermediate in the synthesis of pharmaceuticals, particularly in the development of antiviral and antiprotozoal drugs. It is also used in the production of organic semiconductors and as a component in certain sensors and polymers.

What precautions should be taken when handling 1H-Benzimidazol-2-ylmethanol (CAS: 4856-97-7)?

When handling 1H-Benzimidazol-2-ylmethanol (CAS: 4856-97-7), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation. Spills should be handled carefully, and appropriate spill cleanup procedures should be followed. Always refer to the Safety Data Sheet (SDS) for detailed safety information.