3-Bromo-4-methylbenzonitrile

Basic Information

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CAS Number

42872-74-2

Molecular Formula

C8H6BrN

Molecular Weight

196.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

41-45 °C

Boiling Point

259℃ at 760 mmHg

Water Solubility

Insoluble in water.

SMILES

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CC1=C(C=C(C=C1)C#N)Br

InChI

InChI=1S/C8H6BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3

InChIKey

VXUMRYMTYKDWMO-UHFFFAOYSA-N

LogP

2.62918

Complexity

158

Safety Information

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GHS Hazard Pictograms

H302

H312

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

EN300-111680
bromo-p-tolunitrile
3-bromo-4-methyl-benzonitrile
MFCD06797818
bromo-p-toluonitrile
AM20060961
2-bromo-4-cyano-toluene
Benzonitrile,3-bromo-4-methyl-
Bromo - p - tolunitrile
CS-W003347
Z1255458213
J-511940
42872-74-2
AKOS005255307
3-Bromo-4-methylbenzonitrile, 97%
DTXSID70554101
AC-5481
Benzonitrile, 3-bromo-4-methyl-
bromo p tolunitrile
STR08064
2-Bromo-4-cyanotoluene
VXUMRYMTYKDWMO-UHFFFAOYSA-N
PS-8275
AB29736
FT-0648027
SCHEMBL1233203
4-METHYL-3-BROMOBENZONITRILE
3-Bromo-4-methylbenzonitrile
SY013763
3-Brom-4-methyl-benzonitril
3-bromo-4-methylbenzenecarbonitrile

MDL Number

MFCD06797818

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2)?

3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. GHS classification includes flammability and environmental hazards. REACH requires registration for producers and importers. FDA regulates its use in food-related applications, while EPA oversees its environmental impact and disposal methods.

Are there alternatives to 3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2) in synthesis?

Several alternatives to 3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2) exist in synthesis, including 3-Methyl-4-bromobenzonitrile, 3-Bromo-4-ethylbenzonitrile, and 4-Bromo-3-methylbenzonitrile. These can be used as substitutes depending on the desired properties. Common alternative reagents include n-bromosuccinimide (NBS) and N-iodosuccinimide (NIS) for bromination steps.

What is the market or research trend for 3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2)?

The market for 3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2) shows steady demand in pharmaceutical and agrochemical industries. Recent research trends focus on its potential as a precursor in medicinal chemistry and as an intermediate in the synthesis of bioactive compounds. Price trends reflect growing interest and demand, with a slight increase due to its specialized use cases.

How should waste containing 3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2) be handled?

Waste containing 3-Bromo-4-methylbenzonitrile (CAS: 42872-74-2) should be collected in a sealed, non-leaking container and stored in a well-ventilated area. Incineration is a common method for disposal, but professional waste disposal services are recommended to ensure compliance with environmental regulations. Precautions include wearing appropriate personal protective equipment (PPE) and following local and national disposal guidelines to minimize environmental impact.