5-Bromo-3-methyl-1,2-benzenediamine

Basic Information

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CAS Number

76153-06-5

Molecular Formula

C7H9BrN2

Molecular Weight

201.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

63 °C

Boiling Point

298.8℃ at 760 mmHg

SMILES

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CC1=CC(=CC(=C1N)N)Br

InChI

InChI=1S/C7H9BrN2/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,9-10H2,1H3

InChIKey

UOFSLKHZOPVGHG-UHFFFAOYSA-N

LogP

1.9219199999999994

Topological Polar Surface Area

52.04 Å²

Hydrogen Bond Donor/Acceptor

4 / 2

Complexity

118

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

76153-06-5
AC-23748
5-Bromo-3-methyl-1,2-diaminobenzene
EN300-108946
5-bromo-3-methylbenzene-1,2-diamine
5-bromanyl-3-methyl-benzene-1,2-diamine
5-Bromo-2.3-diamino-toluene
2,3-Diamino-5-Bromotoluene
MFCD06411036
5-bromo-3-methyl-1,2-benzenediamine
Z1251351654
5-bromo-2,3-diamino-toluene
5-bromo-3-methyl-1,2-phenylenediamine
5-Bromo-3-methyl-benzene-1,2-diamine
DTXSID00363960
SY047601
A838622
BDA15306
1,2-Benzenediamine, 5-bromo-3-methyl-
J-517035
AM20080801
5-Bromo-3-methylbenzene-1 pound not2-diamine
5-bromo-3- methylbenzene-1,2-diamine
TETRAHYDRO-5-OXO-2-PHENYLFURAN-3-CARBOXYLICACID
FT-0600692
UOFSLKHZOPVGHG-UHFFFAOYSA-N
AKOS005070531
5-Bromo-2,3-diaminotoluene
SB77426
4Z-0830
CS-W022322

MDL Number

MFCD06411036

Customs Code

2921590090

FAQ

What are the physical and chemical properties of 5-Bromo-3-methyl-1,2-benzenediamine (CAS: 76153-06-5)?

5-Bromo-3-methyl-1,2-benzenediamine is a crystalline solid with a molecular weight of approximately 201.04 g/mol. It has a pKa of 5.5 and a slight basicity. The compound is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. It is chemically reactive, particularly towards nucleophiles and reducing agents.

How is 5-Bromo-3-methyl-1,2-benzenediamine (CAS: 76153-06-5) typically synthesized?

5-Bromo-3-methyl-1,2-benzenediamine is typically synthesized by bromination of 3-methyl-1,2-benzenediamine using N-bromosuccinimide (NBS) in the presence of a radical initiator like azobisisobutyronitrile (AIBN). The reaction yields a high selectivity towards the bromination at the meta position.

What industries use 5-Bromo-3-methyl-1,2-benzenediamine (CAS: 76153-06-5)?

5-Bromo-3-methyl-1,2-benzenediamine is used in pharmaceuticals for the synthesis of certain drugs, in polymers for functionalization, in sensors for detection, and in semiconductors for doping. It is also used as a precursor in organic synthesis and material science.

What precautions should be taken when handling 5-Bromo-3-methyl-1,2-benzenediamine (CAS: 76153-06-5)?

Handling 5-Bromo-3-methyl-1,2-benzenediamine requires the use of personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The substance should be stored in a cool, dry place away from direct sunlight. Spills should be handled carefully, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for specific guidance on spill cleanup and disposal procedures.