5-Bromo-3,4-pyridinediamine

Basic Information

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CAS Number

4635-08-9

Molecular Formula

C5H6BrN3

Molecular Weight

188.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

138-143 °C

Boiling Point

370.1°C at 760 mmHg

Density

1.818

Flash Point

177.6°C

Refractive Index

1.712

SMILES

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C1=C(C(=C(C=N1)Br)N)N

InChI

InChI=1S/C5H6BrN3/c6-3-1-9-2-4(7)5(3)8/h1-2H,7H2,(H2,8,9)

InChIKey

CMFSWSZEHYPECE-UHFFFAOYSA-N

LogP

1.0085000000000002

Topological Polar Surface Area

64.92999999999999 Å²

Hydrogen Bond Donor/Acceptor

4 / 3

Complexity

98.2

Safety Information

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GHS Hazard Pictograms

H302

H315

H317

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture & Light Sensitive

Synonyms & References

English

AC-22850
AKOS006277920
5-Bromo-3,4-diaminopyridine
DTXSID20196818
3,4-Diamino-5-bromopyridine
4635-08-9
BCP03799
EN300-121459
Pyridine, 3-bromo-4,5-diamino-
AM20070144
BCP9000117
CMFSWSZEHYPECE-UHFFFAOYSA-N
5-Bromo-3,4-pyridinediamine
3,4-Pyridinediamine, 5-bromo-
5-bromopyridine-3,4-diamine
FT-0687555
BRN 0121089
MFCD01692479
5-bromo-pyridine-3,4-diamine
CS-0005530
SCHEMBL857201
AS-19426
A7222
3-Bromo-4,5-diaminopyridine
SY022533
3,4-Diamino-5-bromopyridine, 95%
5-Bromopyridine-3,4-diamine
5-Bromo-2,3-Diaminopyridine
5-BROMO-PYRIDINE-3,4-DIAMINE

MDL Number

MFCD01692479

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 5-Bromo-3,4-pyridinediamine (CAS: 4635-08-9)?

5-Bromo-3,4-pyridinediamine (CAS: 4635-08-9) is a white crystalline solid. Its molecular weight is approximately 193.02 g/mol. It has a high solubility in organic solvents such as ethanol and acetone. Chemically, it is moderately reactive, especially under basic conditions, and susceptible to bromine substitution reactions.

How is 5-Bromo-3,4-pyridinediamine (CAS: 4635-08-9) typically synthesized?

5-Bromo-3,4-pyridinediamine is typically synthesized through a nucleophilic aromatic substitution reaction, where 3,4-pyridinediamine reacts with bromine in the presence of a base such as sodium hydroxide. The reaction is carried out in a polar aprotic solvent like dimethylformamide (DMF). The yield and selectivity of the reaction can be enhanced through optimization of the reaction conditions.

What industries use 5-Bromo-3,4-pyridinediamine (CAS: 4635-08-9)?

5-Bromo-3,4-pyridinediamine finds applications in various industries. It is used in the pharmaceutical industry for the synthesis of drugs, in the polymer industry for modifying polymer properties, and in semiconductor and sensor technology for doping and sensing applications. Its versatility makes it a valuable intermediate in these sectors.

What precautions should be taken when handling 5-Bromo-3,4-pyridinediamine (CAS: 4635-08-9)?

When handling 5-Bromo-3,4-pyridinediamine (CAS: 4635-08-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and ignition sources. In case of spillage, it should be disposed of according to local regulations, and it is recommended to refer to the safety data sheet (SDS) for detailed handling instructions.