4-Bromo-6-methylpyrimidine

Basic Information

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CAS Number

69543-98-2

Molecular Formula

C5H5BrN2

Molecular Weight

173.01 g/mol

EINECS

205-525-8

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

222.9±20.0 °C(Predicted)

Density

1.596±0.06 g/cm3(Predicted)

Flash Point

88.6±21.8 ºC,

SMILES

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CC1=CC(=NC=N1)Br

InChI

InChI=1S/C5H5BrN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3

InChIKey

GBPCCNWUSHSRTM-UHFFFAOYSA-N

LogP

1.5475199999999996

pKa

0.63±0.17(Predicted)

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

76.8

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

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

Synonyms & References

English

4-Bromo-6-methylpyrimidine
SY045511
69543-98-2
4-bromo-6-methyl-pyrimidine
AMY132
EN300-218256
GBPCCNWUSHSRTM-UHFFFAOYSA-N
Pyrimidine, 4-bromo-6-methyl- (9CI)
FS-3003
MFCD00234065
BCP06890
AKOS007930563
J-514787
CS-W018676
SCHEMBL3706866
SB57317
DTXSID50668598
FT-0706718
Z787349642
A852025
Pyrimidine, 4-bromo-6-methyl-
Pyrimidine, 4-bromo-6-methyl- (9CI) ISO 9001：2015 REACH
Pyrimidine,4-bromo-6-methyl-
6-Bromo-4-methylpyrimidin
PubChem23632
RP23518
PYRIMIDINE, 4-BROMO-6-METHYL-
BC004948
AB0026298
ST2411222
W7932

MDL Number

MFCD00234065

EC Number

205-525-8

Customs Code

2933599590

FAQ

What are the physical and chemical properties of 4-Bromo-6-methylpyrimidine (CAS: 69543-98-2)?

4-Bromo-6-methylpyrimidine is a white crystalline solid with a molecular weight of 216.03 g/mol. It has a melting point of 112-114°C and a limited solubility in water. The compound is relatively stable but can react with strong acids or bases. It is generally insoluble in water but soluble in organic solvents like methanol, ethanol, and dimethylformamide.

How is 4-Bromo-6-methylpyrimidine (CAS: 69543-98-2) typically synthesized?

4-Bromo-6-methylpyrimidine is typically synthesized by bromination of 6-methylpyrimidine using N-bromosuccinimide (NBS) in the presence of a suitable catalyst like benzoyl peroxide under anhydrous conditions. The reaction yields a high percentage of the desired product with good selectivity. The process involves careful monitoring to ensure the desired bromination occurs at the correct position.

What industries use 4-Bromo-6-methylpyrimidine (CAS: 69543-98-2)?

4-Bromo-6-methylpyrimidine is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of antitumor and antiviral drugs. It is also utilized in the production of certain dyes, as a reagent in organic synthesis, and in the development of sensors and other materials for electronic applications.

What precautions should be taken when handling 4-Bromo-6-methylpyrimidine (CAS: 69543-98-2)?

When handling 4-Bromo-6-methylpyrimidine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from heat sources and incompatible materials. Use a fume hood during preparation to minimize inhalation of fumes. In case of a spill, clean up with caution using absorbent materials and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.