3-Bromo-4-(hydroxymethyl)benzonitrile

Basic Information

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CAS Number

90110-98-8

Molecular Formula

C8H6BrNO

Molecular Weight

212.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=C(C=C1C#N)Br)CO

InChI

InChI=1S/C8H6BrNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2

InChIKey

LMKVEJWFFPCGJC-UHFFFAOYSA-N

LogP

1.81308

Complexity

174

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

3-Bromo-4-(hydroxymethyl)benzonitrile
2-BROMO-4-CYANOBENZYL ALCOHOL
Benzonitrile,3-bromo-4-(hydroxymethyl)-
AK123427
2-Bromo-4-cyanobenzylalcohol
LMKVEJWFFPCGJC-UHFFFAOYSA-N
RW3520
FCH1395322
AX8247605
ST2404939
V8884
Z2216711530
3-Bromo-4-(hydroxymethyl)benzonitrile (ACI)
p-Tolunitrile, 3-bromo-α-hydroxy- (7CI)
3-Bromo-4-hydroxymethylbenzonitrile
3-bromo-4-(hydroxymethyl)benzonitrile
DS-7005
DTXSID40698485
EN300-187129
MFCD09907613
J-508277
90110-98-8
SCHEMBL1232210
Z1269221754
SY045951
CL9592
DB-366120
CS-D0578
AKOS015994848

MDL Number

MFCD09907613

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3-Bromo-4-(hydroxymethyl)benzonitrile (CAS: 90110-98-8)?

3-Bromo-4-(hydroxymethyl)benzonitrile (CAS: 90110-98-8) falls under the classification of a hazardous chemical. It is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), and manufacturers and importers must comply with REACH regulations in the EU for registration, evaluation, authorization, and restriction. FDA and EPA have specific requirements for the handling and disposal of this compound in the United States, including proper labeling and handling to prevent environmental contamination.

Are there alternatives to 3-Bromo-4-(hydroxymethyl)benzonitrile (CAS: 90110-98-8) in synthesis?

There are several alternatives to 3-Bromo-4-(hydroxymethyl)benzonitrile (CAS: 90110-98-8), including 4-Bromomethylbenzonitrile and 3-Hydroxymethylbenzonitrile. These alternatives can be used as starting materials in synthesis depending on the desired product and reaction conditions. Commonly used reagents include bromine and hydroxylamine, which can be substituted based on the specific reaction needs and availability.

What is the market or research trend for 3-Bromo-4-(hydroxymethyl)benzonitrile (CAS: 90110-98-8)?

The market for 3-Bromo-4-(hydroxymethyl)benzonitrile (CAS: 90110-98-8) is influenced by its applications in pharmaceuticals, agrochemicals, and organic synthesis. Research trends indicate a growing interest in its use as a precursor for the synthesis of various chemical intermediates. The demand is expected to increase due to its reactivity and specificity in certain reactions. However, price fluctuations and supply chain issues may affect market trends.

How should waste containing 3-Bromo-4-(hydroxymethyl)benzonitrile (CAS: 90110-98-8) be handled?

Waste containing 3-Bromo-4-(hydroxymethyl)benzonitrile (CAS: 90110-98-8) should be collected in suitable, leak-proof containers and labeled appropriately. Incineration is a common method for disposal, but professional waste disposal services are recommended to ensure compliance with local regulations. Environmental protection precautions include proper handling to prevent spillage and contamination of soil and water. Stabilization and secure disposal methods should be employed to minimize environmental impact.