7-Bromo-4-chlorothieno[3,2-d]pyrimidine

Basic Information

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CAS Number

31169-27-4

Molecular Formula

C6H2BrClN2S

Molecular Weight

249.52 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

White to Yellow Solid

SMILES

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C1=C(C2=C(S1)C(=NC=N2)Cl)Br

InChI

InChI=1S/C6H2BrClN2S/c7-3-1-11-5-4(3)9-2-10-6(5)8/h1-2H

InChIKey

LJFZDPZIIKOATA-UHFFFAOYSA-N

LogP

3.1072000000000006

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

160

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

A820744
AM20090440
OSM-S-448
SY006956
Z1269196512
7-Bromo-4-chloro-thieno[3,2-d]pyrimidine
SCHEMBL865770
CS-W006804
MFCD08273917
LJFZDPZIIKOATA-UHFFFAOYSA-N
AC-23701
FT-0650347
EN300-316600
BCP31173
AKOS015851195
PB32590
Thieno[3,2-d]pyrimidine, 7-bromo-4-chloro-
31169-27-4
7-Bromo-4-chlorothieno[3,2-d]pyrimidine
J-519140
7-Bromo-4-chlorothieno[3,2-d]pyrimidine, AldrichCPR
SC2091
DTXSID40586510
Bromo-4-chlorothieno[3,2-d]pyrimidine
Thieno[3,2-d]pyrimidine,7-bromo-4-chloro-
7-bromo-4-chlorothieno[3,2-d]pyrimidine

MDL Number

MFCD08273917

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 7-Bromo-4-chlorothieno[3,2-d]pyrimidine (CAS: 31169-27-4)?

7-Bromo-4-chlorothieno[3,2-d]pyrimidine is a crystalline solid with a molecular weight of approximately 285.03 g/mol. It has a low water solubility (around 0.01 g/L at 25°C) and good solubility in organic solvents like DMSO and acetonitrile. The compound is moderately reactive and susceptible to hydrolysis under basic conditions. It is also known to undergo electrophilic substitution reactions under certain conditions.

How is 7-Bromo-4-chlorothieno[3,2-d]pyrimidine (CAS: 31169-27-4) typically synthesized?

7-Bromo-4-chlorothieno[3,2-d]pyrimidine is typically synthesized via a multi-step process involving the bromination of a thieno[3,2-d]pyrimidine intermediate. Key steps include the bromination of the thieno[3,2-d]pyrimidine with N-bromosuccinimide (NBS) in the presence of a radical initiator like AIBN. The yield can vary between 50-70%, depending on the purity of the starting materials and reaction conditions.

What industries use 7-Bromo-4-chlorothieno[3,2-d]pyrimidine (CAS: 31169-27-4)?

7-Bromo-4-chlorothieno[3,2-d]pyrimidine is primarily used in the pharmaceutical industry, where it serves as a key intermediate in the synthesis of various drugs. It is also of interest in the chemical and materials industry for its potential applications in polymer synthesis and as a functional material in sensor technology.

What precautions should be taken when handling 7-Bromo-4-chlorothieno[3,2-d]pyrimidine (CAS: 31169-27-4)?

When handling 7-Bromo-4-chlorothieno[3,2-d]pyrimidine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. In case of a spill, immediately clean up using appropriate absorbent materials and dispose of waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.