2-Amino-6-bromobenzonitrile

Basic Information

View in Editor

CAS Number

77326-62-6

Molecular Formula

C7H5BrN2

Molecular Weight

186.05 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

152-154 ºC

Boiling Point

343℃ at 760 mmHg

Density

1.68

Flash Point

161.445℃

SMILES

View in Editor

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

InChI

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

InChIKey

ZKZYTSGUONPOPF-UHFFFAOYSA-N

LogP

2.33972

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

160

Safety Information

View Safety Information

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

SCHEMBL619229
SY004370
2-amino-6-bromobenzonitrile
MFCD09834769
AM61672
2-amino-6-bromo-benzonitrile
ZKZYTSGUONPOPF-UHFFFAOYSA-N
AKOS005259163
DTXSID30431045
PS-3957
A26616
77326-62-6
CL8148
FT-0684420
CS-W010573
Benzonitrile, 2-amino-6-bromo-
EN300-103507
2-Amino-6-bromobenzonitrile

MDL Number

MFCD09834769

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2-Amino-6-bromobenzonitrile (CAS: 77326-62-6)?

2-Amino-6-bromobenzonitrile (CAS: 77326-62-6) falls under the GHS classification system, which includes specific hazard statements. In the EU, it is regulated under REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) and may require registration if produced in quantities above 1 ton per year. FDA and EPA have specific regulations for the handling and disposal of this compound, especially concerning environmental protection and worker safety.

Are there alternatives to 2-Amino-6-bromobenzonitrile (CAS: 77326-62-6) in synthesis?

Alternative reagents for synthesizing compounds similar to 2-Amino-6-bromobenzonitrile (CAS: 77326-62-6) include 2-Amino-6-chlorobenzonitrile and 2-Amino-6-fluorobenzonitrile. These compounds can serve as effective substitutes in various chemical reactions, providing similar functionalities but with different chemical properties.

What is the market or research trend for 2-Amino-6-bromobenzonitrile (CAS: 77326-62-6)?

The research trend for 2-Amino-6-bromobenzonitrile (CAS: 77326-62-6) focuses on its use in medicinal chemistry and pharmaceuticals due to its structural similarity to other bioactive molecules. Market trends indicate an increasing demand in the synthesis of novel drugs and intermediates, driven by advancements in drug discovery and personalized medicine.

How should waste containing 2-Amino-6-bromobenzonitrile (CAS: 77326-62-6) be handled?

Waste containing 2-Amino-6-bromobenzonitrile (CAS: 77326-62-6) should be collected in dedicated containers and properly labeled. Incineration is a common method for waste disposal, ensuring complete destruction of the compound. It is also recommended to seek professional waste disposal services to comply with environmental protection regulations and ensure safe handling.