2-(Hydroxymethyl)benzonitrile

Basic Information

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CAS Number

89942-45-0

Molecular Formula

C8H7NO

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

276 ºC

Density

1.16

Flash Point

121 ºC

SMILES

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C1=CC=C(C(=C1)CO)C#N

InChI

InChI=1S/C8H7NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,10H,6H2

InChIKey

NWRXEGKWQXAEHC-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

147

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

2-(Hydroxymethyl)benzonitrile
2-Cyanobenzyl alcohol
Benzonitrile,2-(hydroxymethyl)-
2-(Hydroxymethyl)benzonitrile (ACI)
o-Tolunitrile, α-hydroxy- (7CI)
2-Cyanobenzenemethanol
DA-01350
89942-45-0
CS-W005877
Benzonitrile, 2-(hydroxymethyl)-
DTXSID00545289
MFCD11111887
AKOS015995353
DS-16427
2-CYANOBENZYL ALCOHOL
SCHEMBL483697
SY025433

MDL Number

MFCD11111887

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2-(Hydroxymethyl)benzonitrile (CAS: 89942-45-0)?

2-(Hydroxymethyl)benzonitrile (CAS: 89942-45-0) falls under the classification of a hazardous chemical according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It is regulated by the European Chemicals Agency (ECHA) under REACH regulations. In the United States, it is subject to requirements by the EPA and FDA. Proper labeling and safety data sheets (SDS) must be provided for handling and storage.

Are there alternatives to 2-(Hydroxymethyl)benzonitrile (CAS: 89942-45-0) in synthesis?

There are several alternatives to 2-(Hydroxymethyl)benzonitrile in synthesis, including 2-hydroxymethylbenzaldehyde, which can be used as a precursor in similar reactions. Other substitutes include isomeric nitriles and aldehydes, which may serve as effective replacements depending on the specific reaction conditions and desired product.

What is the market or research trend for 2-(Hydroxymethyl)benzonitrile (CAS: 89942-45-0)?

The market for 2-(Hydroxymethyl)benzonitrile (CAS: 89942-45-0) is driven by its use in polymer synthesis and as a precursor in the production of functional materials. Research trends are focusing on developing more sustainable and environmentally friendly alternatives. The trend also includes exploring its applications in specialty chemicals and pharmaceuticals, where it can be used in biodegradable materials and drug delivery systems.

How should waste containing 2-(Hydroxymethyl)benzonitrile (CAS: 89942-45-0) be handled?

Waste containing 2-(Hydroxymethyl)benzonitrile (CAS: 89942-45-0) should be collected in a sealed, leak-proof container and stored in a well-ventilated area. It should then be disposed of in accordance with local regulations, which may involve incineration or professional waste disposal services. Environmental precautions include ensuring that the waste is not released into the environment and that proper protective measures are taken during handling and disposal to prevent exposure and contamination.