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

Basic Information

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CAS Number

3507-26-4

Molecular Formula

C8H6ClNS

Molecular Weight

183.66 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

Melting Point

44-49 °C

Boiling Point

152°C/15mmHg

SMILES

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CC1=CC2=C(C=C1)N=C(S2)Cl

InChI

InChI=1S/C8H6ClNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3

InChIKey

PAKSGYIFUVNJQF-UHFFFAOYSA-N

LogP

3.258120000000001

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

153

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SY009421
AKOS005072769
6-Methyl-2-chloro benzothiazole
F1910-0010
2-{[(3-Methyl-4-(3-methoxypropoxy)-2-pyridinyl)methyl]sulphinyl}-1H-benzimidazole
2-Chloro-6-methylbenzothiazole
EN300-237634
MFCD04448821
2-chloro-6-methylbenzo[d]thiazole
A15512
C3160
2-Chloro-6-methylbenzothiazole, 96%
2-Chloro-6-methyl-benzothiazole
DTXSID10365950
AM20040257
SCHEMBL780451
3507-26-4
PAKSGYIFUVNJQF-UHFFFAOYSA-N
AC-15092
BCP26990
2-chloro-6-methylbenzthiazole
2-chloro-6-methyl-1,3-benzothiazole
CS-0072609
FA-0920
FT-0680999
W10452
J-508968
HMS1655J09
2-Chloro-6-methylbenzo[d]thiazole
2-Chloro-6-methyl-1,3-benzothiazole
PubChem21875

MDL Number

MFCD04448821

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Chloro-6-methyl-1,3-benzothiazole (CAS: 3507-26-4)?

2-Chloro-6-methyl-1,3-benzothiazole (CAS: 3507-26-4) is a crystalline solid with a molecular weight of approximately 185.61 g/mol. It has limited water solubility and is soluble in organic solvents like ethanol and acetone. Chemically, it reacts readily with nucleophiles and can undergo substitution and condensation reactions.

How is 2-Chloro-6-methyl-1,3-benzothiazole (CAS: 3507-26-4) typically synthesized?

2-Chloro-6-methyl-1,3-benzothiazole is typically synthesized via the reaction of 6-methyl-1,3-benzothiazole with chlorine gas. The reaction is carried out under anhydrous conditions to maintain the reactivity of the intermediate. The yield is around 70-80%.

What industries use 2-Chloro-6-methyl-1,3-benzothiazole (CAS: 3507-26-4)?

2-Chloro-6-methyl-1,3-benzothiazole (CAS: 3507-26-4) is used in the pharmaceutical industry for the synthesis of certain drugs, and in the polymer industry for the production of special plastics. It also finds applications in the sensor and semiconductor industries.

What precautions should be taken when handling 2-Chloro-6-methyl-1,3-benzothiazole (CAS: 3507-26-4)?

When handling 2-Chloro-6-methyl-1,3-benzothiazole (CAS: 3507-26-4), it is essential to wear protective equipment such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. In case of spillage, neutralize the area with water and clean up with appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.