3-Bromoimidazo[1,2-a]pyrimidine

Basic Information

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CAS Number

6840-45-5

Molecular Formula

C6H4BrN3

Molecular Weight

198.02 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

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

158-160

Density

1.89

Refractive Index

1.751

SMILES

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C1=CN2C(=CN=C2N=C1)Br

InChI

InChI=1S/C6H4BrN3/c7-5-4-9-6-8-2-1-3-10(5)6/h1-4H

InChIKey

GNHZXUKWLSWKHB-UHFFFAOYSA-N

LogP

1.4917999999999993

Topological Polar Surface Area

30.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

130

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL303655
EN300-336034
J-512107
AM20100634
6840-45-5
CS-D1630
DTXSID40377182
3-bromoimidazo(1,2-a)pyrimidine
AKOS005070382
SY007252
3-Bromoimidazo[1,2-a]pyrimidine
GNHZXUKWLSWKHB-UHFFFAOYSA-N
A836133
3-Bromoimidazo[1,2-a]pyrimidine, AldrichCPR
3-bromoimidazol-(1,2-a)-pyrimidine
3-bromoimidazo[1,2-alpha]pyrimidine
IMIDAZO[1,2-A]PYRIMIDINE, 3-BROMO-
MFCD06200962
FT-0636272
AB23077
3Y-0813
3-BROMOIMIDAZO[1 pound not2-A]PYRIMIDINE
3-BROMOIMIDAZOL-(1,2-A)-PYRIMIDINE
bromoimidazoapyrimidine
PubChem14837
KSC496E5T
3-bromanylimidazo[1,2-a]pyrimidine
SBB054677
TRA0067336
RP11631

MDL Number

MFCD06200962

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Bromoimidazo[1,2-a]pyrimidine (CAS: 6840-45-5)?

3-Bromoimidazo[1,2-a]pyrimidine is a crystalline solid with a molecular weight of approximately 203.03 g/mol. It has low water solubility, with a solubility of about 0.5 mg/mL in water. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is also prone to pyrolysis under alkaline conditions.

How is 3-Bromoimidazo[1,2-a]pyrimidine (CAS: 6840-45-5) typically synthesized?

3-Bromoimidazo[1,2-a]pyrimidine is typically synthesized via the bromination of imidazo[1,2-a]pyrimidine using N-bromosuccinimide (NBS) or similar brominating agents. The reaction is carried out in an inert solvent such as dichloromethane or acetonitrile. The yield is generally moderate to good, with high selectivity towards the bromo substitution.

What industries use 3-Bromoimidazo[1,2-a]pyrimidine (CAS: 6840-45-5)?

3-Bromoimidazo[1,2-a]pyrimidine is used in the pharmaceutical industry as an intermediate for drug synthesis due to its structural complexity and potential bioactivity. It may also have applications in the polymer industry for functionalization or as a monomer. Additionally, it could be used in sensor technology and semiconductor manufacturing for specific chemical properties.

What precautions should be taken when handling 3-Bromoimidazo[1,2-a]pyrimidine (CAS: 6840-45-5)?

When handling 3-Bromoimidazo[1,2-a]pyrimidine, it is important to use appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Handle it in a well-ventilated fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed procedures and emergency response information.