4-Chlorothieno[2,3-d]pyrimidine

Basic Information

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CAS Number

14080-59-2

Molecular Formula

C6H3ClN2S

Molecular Weight

170.62 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

104-105 °C

Boiling Point

285.7℃ at 760 mmHg

Density

1.531

Flash Point

126.6 °C

Refractive Index

1.71

SMILES

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C1=CSC2=C1C(=NC=N2)Cl

InChI

InChI=1S/C6H3ClN2S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H

InChIKey

NZCRUBBNZGVREM-UHFFFAOYSA-N

LogP

2.3447000000000005

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

133

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

HMS1728C22
AC-33881
F2167-3929
CS-W005019
PB14219
7P-707
BP-11120
14080-59-2
SY006753
CHEBI:194638
SCHEMBL9704
DTXSID50353073
4-chloro-thieno[2,3-d]pyrimidine
W-201197
FT-0618267
4-Chlorothieno[2,3-d]pyrimidine, AldrichCPR
AM20080310
EN300-07404
4-Chlorothieno[2 pound not3-d]pyrimidine
NZCRUBBNZGVREM-UHFFFAOYSA-N
4-Chloro-thieno[2,3-d]-pyrimidine
AKOS001044006
thieno[2,3-d]pyrimidine, 4-chloro-
MFCD01312373
BCP27159
Z56899146
4-Chlorothieno[2,3-d]pyrimidine
Thieno [2,3-d]pyrimidine, 4-chloro-
BUTTPARK 48\18-41
4-Chlorothienol[2,3-d]pyrimidine
4-chlorothiopheno[2,3-d]pyrimidine

MDL Number

MFCD01312373

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Chlorothieno[2,3-d]pyrimidine (CAS: 14080-59-2)?

4-Chlorothieno[2,3-d]pyrimidine is a crystalline compound with a molecular weight of approximately 211.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like DMSO and acetonitrile. Chemically, it exhibits good stability but can undergo ring-opening reactions under certain conditions. Its reactivity towards nucleophiles is notable, making it useful in various synthetic transformations.

How is 4-Chlorothieno[2,3-d]pyrimidine (CAS: 14080-59-2) typically synthesized?

4-Chlorothieno[2,3-d]pyrimidine can be synthesized via a nucleophilic substitution reaction where a chloroalkylthiophene undergoes a substitution with a pyrimidine ring. Commonly, this involves the use of thiophene and chloropyrimidine in the presence of a base like potassium carbonate. The reaction yields a product with high selectivity and a good yield under optimized conditions.

What industries use 4-Chlorothieno[2,3-d]pyrimidine (CAS: 14080-59-2)?

4-Chlorothieno[2,3-d]pyrimidine is primarily used in the pharmaceutical industry for its biological activity. It also finds applications in the development of sensors and semiconductors due to its electronic properties. Its use in polymers is limited but possible, particularly in tailored materials for specific electronic applications.

What precautions should be taken when handling 4-Chlorothieno[2,3-d]pyrimidine (CAS: 14080-59-2)?

When handling 4-Chlorothieno[2,3-d]pyrimidine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled carefully with appropriate absorbents, and disposal should follow local regulations. Always consult the Safety Data Sheet (SDS) for detailed guidance on handling and storage.