5-Bromo-2-chloro-3-methylpyridine

Basic Information

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CAS Number

29241-60-9

Molecular Formula

C6H5BrClN

Molecular Weight

206.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

42.0 to 46.0 deg-C

Boiling Point

78°C/3mmHg

Flash Point

95.5℃

Refractive Index

1.5400 (estimate)

SMILES

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CC1=CC(=CN=C1Cl)Br

InChI

InChI=1S/C6H5BrClN/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3

InChIKey

YTSKHJMMNFPBBZ-UHFFFAOYSA-N

LogP

2.8059200000000004

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

99.1

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-bromo-2-chloro-3-methyl pyridine
FT-0638841
PS-8072
SY002697
5-Bromo-2-chloro-3-picoline
J-516887
NSC-142312
AKOS005258276
5-Bromo-2-chloro-3-methylpyridine, AldrichCPR
A8888
EN300-130742
J-017450
DTXSID50301312
B3744
NSC142312
5-Bromo-2-chloro-3-picoline (5-Bromo-2-chloro-3-methylpyridine)
A5474
29241-60-9
AM20061717
AC-7014
Pyridine, 5-bromo-2-chloro-3-methyl-
2-chloro-3-methyl-5-bromopyridine
MFCD03095093
5-bromo-2-chloro-3-methyl-pyridine
CS-D0945
BCP22181
5-bromo-2-chloro-3-methylpyridine
YTSKHJMMNFPBBZ-UHFFFAOYSA-N
SCHEMBL652596
5-Bromo-2-chloro-3-methylpyridine
2-CHLORO-3-METHYL-5-BROMO PYRIDINE

MDL Number

MFCD03095093

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 5-Bromo-2-chloro-3-methylpyridine (CAS: 29241-60-9)?

5-Bromo-2-chloro-3-methylpyridine (CAS: 29241-60-9) is a crystalline solid with a molecular weight of approximately 218.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong nucleophiles. It has a melting point of about 125-128°C and is a potential substrate in organic synthesis and pharmaceuticals.

How is 5-Bromo-2-chloro-3-methylpyridine (CAS: 29241-60-9) typically synthesized?

5-Bromo-2-chloro-3-methylpyridine (CAS: 29241-60-9) is commonly synthesized via the halo substitution of 3-methylpyridine. This can be achieved using a Br2/FeCl3 mixture for bromination, followed by chlorination using PCl3 or PCl5. The reaction is typically performed under anhydrous conditions to avoid hydrolysis, with yields ranging from 60-85%.

What industries use 5-Bromo-2-chloro-3-methylpyridine (CAS: 29241-60-9)?

5-Bromo-2-chloro-3-methylpyridine (CAS: 29241-60-9) is used in various industries. It is an important intermediate in the synthesis of pharmaceutical compounds, particularly in antiviral drugs. It also finds applications in the manufacture of certain polymers and as a reagent in organic chemistry research. Additionally, it can be used in sensor technology and semiconductor manufacturing due to its electronic properties.

What precautions should be taken when handling 5-Bromo-2-chloro-3-methylpyridine (CAS: 29241-60-9)?

When handling 5-Bromo-2-chloro-3-methylpyridine (CAS: 29241-60-9), it is crucial to wear proper personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage recommendations.