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

Basic Information

View in Editor

CAS Number

814918-95-1

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

Boiling Point

345.5℃ at 760 mmHg

SMILES

View in Editor

C1=C(C2=C(S1)N=CN=C2Cl)Br

InChI

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

InChIKey

IKCKRHCJPVDELP-UHFFFAOYSA-N

LogP

3.1071999999999997

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

160

Synonyms & References

English

bis(3-dimethylaminopropyl)amin
5-bromo-4-chlorothieno [2,3-d] pyrimidine
DS-11586
Thieno[2,3-d]pyrimidine, 5-bromo-4-chloro-
5-bromo-4-chlorothieno[2,3-d]pyrimidine
DTXSID10670293
PB34550
EN300-1588367
SY023109
814918-95-1
CS-0006619
IKCKRHCJPVDELP-UHFFFAOYSA-N
SCHEMBL868188
A840148
5-bromo-4-chloro-thieno[2,3-d]pyrimidine
Z1269232182
J-517083
BCP16930
AM20100795
MFCD11042739
AKOS015919567
5-Bromo-4-chlorothieno[2,3-d]pyrimidine
5-Bromo-4-chloro-thieno[2,3-d]pyrimidine

MDL Number

MFCD11042739

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Bromo-4-chlorothieno[2,3-d]pyrimidine (CAS: 814918-95-1)?

5-Bromo-4-chlorothieno[2,3-d]pyrimidine is a solid and crystalline compound with a molecular weight of approximately 248.01 g/mol. It has a solubility of 0.1 g/100 mL in water and is slightly soluble in common organic solvents such as ethanol and acetone. This compound is known for its low reactivity under normal conditions but can undergo substitution reactions under certain conditions. It is stable under normal temperature and pressure but should be stored in a cool, dark place to prevent degradation.

How is 5-Bromo-4-chlorothieno[2,3-d]pyrimidine (CAS: 814918-95-1) typically synthesized?

5-Bromo-4-chlorothieno[2,3-d]pyrimidine is typically synthesized through a multi-step chemical process involving the bromination and chlorination of thieno[2,3-d]pyrimidine. Commonly, this involves reacting thieno[2,3-d]pyrimidine with bromine and chlorine in the presence of a suitable solvent and catalyst. The yield is around 70-80% with good selectivity and purity.

What industries use 5-Bromo-4-chlorothieno[2,3-d]pyrimidine (CAS: 814918-95-1)?

5-Bromo-4-chlorothieno[2,3-d]pyrimidine is primarily used in the pharmaceutical industry for the development of new drugs, particularly in the area of antiviral and anti-inflammatory agents. It is also used in the chemical industry for the synthesis of other compounds and in the electronic industry for its use in semiconductors and sensors.

What precautions should be taken when handling 5-Bromo-4-chlorothieno[2,3-d]pyrimidine (CAS: 814918-95-1)?

When handling 5-Bromo-4-chlorothieno[2,3-d]pyrimidine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. It should be used in a well-ventilated area or a fume hood to prevent inhalation. In case of a spill, ensure to clean it up with caution and use appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.