4-Amino-3-bromobenzonitrile

Basic Information

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CAS Number

50397-74-5

Molecular Formula

C7H5BrN2

Molecular Weight

197.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

109.0 to 113.0 deg-C

Boiling Point

300.3℃ at 760 mmHg

Flash Point

135.4℃

Refractive Index

1.5500 (estimate)

SMILES

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

InChI

InChI=1S/C7H5BrN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2

InChIKey

POESQIHWIIWNJL-UHFFFAOYSA-N

LogP

2.48418

Complexity

160

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

MFCD01861386
A828100
PS-5927
SY018639
J-800247
EN300-30639
A1723
4-Amino-3-bromo-benzonitrile
4-amino-3-bromobenzonitile
benzonitrile, 4-amino-3-bromo-
AC-1795
AB01153928-03
4-Amino-3-bromobenzonitrile, 97%
NCGC00341249-01
AM61569
J-640248
FT-0639896
2-Bromo-4-cyanoaniline
4-Amino-3-bromobenzonitrile
4-amino-3-brombenzonitrile
50397-74-5
POESQIHWIIWNJL-UHFFFAOYSA-N
3-Bromo-4-aminobenzonitrile
4-amino-3-bromobenzo-nitrile
4-azanyl-3-bromanyl-benzenecarbonitrile
CS-W002840
SCHEMBL616196
DTXSID10363931
AKOS001466128
Z315898992
Benzonitrile, 4-amino-3-bromo-

MDL Number

MFCD01861386

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 4-Amino-3-bromobenzonitrile (CAS: 50397-74-5)?

4-Amino-3-bromobenzonitrile (CAS: 50397-74-5) falls under various regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements for safety and environmental handling. Specific safety data sheets (SDS) should be consulted for detailed information on all necessary regulations.

Are there alternatives to 4-Amino-3-bromobenzonitrile (CAS: 50397-74-5) in synthesis?

Alternatives to 4-Amino-3-bromobenzonitrile (CAS: 50397-74-5) in synthesis include other aromatic amines and nitriles that can serve similar functional groups. For example, 4-Bromobenzonitrile or 3-Amino-4-bromobenzonitrile can be used as substitutes, depending on the specific reaction conditions and desired product properties.

What is the market or research trend for 4-Amino-3-bromobenzonitrile (CAS: 50397-74-5)?

The market for 4-Amino-3-bromobenzonitrile (CAS: 50397-74-5) shows steady demand in pharmaceutical and fine chemical research, particularly in the development of novel drug molecules. Recent research trends focus on its potential applications in anti-inflammatory and anticancer drug design. Market trends indicate continued interest in this compound due to its unique chemical properties.

How should waste containing 4-Amino-3-bromobenzonitrile (CAS: 50397-74-5) be handled?

Waste containing 4-Amino-3-bromobenzonitrile (CAS: 50397-74-5) should be collected in appropriate containers and disposed of according to local waste management regulations. Professional waste disposal services are recommended for safe incineration or chemical treatment. Ensure all safety precautions are followed to prevent environmental contamination and ensure worker safety.