2-Chloro-6-fluoro-1,3-benzothiazole

Basic Information

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CAS Number

399-74-6

Molecular Formula

C7H3ClFNS

Molecular Weight

187.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

91.0 to 95.0 deg-C

Flash Point

106.8℃

SMILES

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C1=CC2=C(C=C1F)SC(=N2)Cl

InChI

InChI=1S/C7H3ClFNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H

InChIKey

ISIIQFDYFMPPOA-UHFFFAOYSA-N

LogP

3.088800000000001

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

157

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

AC-15097
2-chloro-6-fluoro-1,3-benzothiazole
Benzothiazole, 2-chloro-6-fluoro-
FT-0657971
BCP27034
EN300-237643
BP-12403
AKOS005208050
CS-W016839
DS-10997
2-Chloro-6-fluoro-benzothiazole
2-Chloro-6-fluorobenzothiazole
F1910-0016
DTXSID50365954
2-chloro-6-fluoro benzothiazole
SY013791
A15556
2-chloro-6-fluorobenzo[d]thiazole
MFCD04448822
SCHEMBL369984
ISIIQFDYFMPPOA-UHFFFAOYSA-N
AM20040381
399-74-6
C2607
2-Chloro-6-fluorobenzo[d]thiazole
2-Chloro-6-Fluorobenzothiazole

MDL Number

MFCD04448822

Customs Code

2934200090

FAQ

What are the physical and chemical properties of 2-Chloro-6-fluoro-1,3-benzothiazole (CAS: 399-74-6)?

2-Chloro-6-fluoro-1,3-benzothiazole is a crystalline solid with a molecular weight of approximately 215.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and ethanol. The compound is relatively stable under normal conditions but can undergo ring-opening reactions when exposed to strong acids or bases. It is often used in the synthesis of various pharmaceuticals and dye intermediates.

How is 2-Chloro-6-fluoro-1,3-benzothiazole (CAS: 399-74-6) typically synthesized?

2-Chloro-6-fluoro-1,3-benzothiazole is typically synthesized through a multi-step process involving the introduction of chlorine into a benzothiazole ring, followed by a fluorination step. Commonly, this involves reacting benzothiazole with thionyl chloride and then with fluorine gas or hydrogen fluoride. The reaction conditions are carefully controlled to achieve high yields and good selectivity.

What industries use 2-Chloro-6-fluoro-1,3-benzothiazole (CAS: 399-74-6)?

2-Chloro-6-fluoro-1,3-benzothiazole is primarily utilized in the pharmaceutical industry for the development of drugs and agrochemicals. It is also found in the production of dyes and pigments, sensors, and as a precursor in the synthesis of various functional materials. Its properties make it valuable in applications requiring specific chemical functionalities.

What precautions should be taken when handling 2-Chloro-6-fluoro-1,3-benzothiazole (CAS: 399-74-6)?

When handling 2-Chloro-6-fluoro-1,3-benzothiazole, it is essential to wear 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 to minimize exposure to fumes. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.