6-Bromo-2-chloro-1,3-benzothiazole

Basic Information

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CAS Number

80945-86-4

Molecular Formula

C7H3BrClNS

Molecular Weight

248.53 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

99-103 °C

Boiling Point

157°C/18mmHg

Flash Point

140.8℃

SMILES

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C1=CC2=C(C=C1Br)SC(=N2)Cl

InChI

InChI=1S/C7H3BrClNS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H

InChIKey

IJQSMNIZBBEBKI-UHFFFAOYSA-N

LogP

3.7122

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

157

Safety Information

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Hazard Statement

H301 Toxic 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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BB 0260634
FA-0922
HMS1655N09
CS-W014630
Benzothiazole, 6-bromo-2-chloro-
FT-0649113
AC-7670
6-BROMO-2-CHLOROBENZO[D]THIAZOLE
A840010
6-Bromo-2-chlorobenzothiazole
SCHEMBL141868
6-Bromo-2-chloro-benzothiazole
AKOS005072770
IJQSMNIZBBEBKI-UHFFFAOYSA-N
6-bromo-2-chloro-1,3-benzothiazole
BCP21684
MFCD04971822
SY004598
J-518322
6-Bromo-2-chlorobenzothiazole, 97%
B4448
80945-86-4
A9973
6-bromanyl-2-chloranyl-1,3-benzothiazole
AM20041198
EN300-237777
AB20897
2-CHLORO-6-BROMOBENZOTHIAZOLE
F1910-0018
DTXSID10365955
6-Bromo-2-chloro-1,3-benzothiazole

MDL Number

MFCD04971822

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 6-Bromo-2-chloro-1,3-benzothiazole (CAS: 80945-86-4)?

6-Bromo-2-chloro-1,3-benzothiazole (CAS: 80945-86-4) falls under the scope of various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements in the USA. It is crucial to handle this compound according to these guidelines for safe transportation, storage, and disposal.

Are there alternatives to 6-Bromo-2-chloro-1,3-benzothiazole (CAS: 80945-86-4) in synthesis?

While 6-Bromo-2-chloro-1,3-benzothiazole (CAS: 80945-86-4) is a specific compound, alternatives include other substituted benzothiazoles such as 2-bromo-1,3-benzothiazole or 1,3-benzothiazole itself. Common alternative reagents include thionyl chloride or sodium hydride for synthesis purposes.

What is the market or research trend for 6-Bromo-2-chloro-1,3-benzothiazole (CAS: 80945-86-4)?

The market trend for 6-Bromo-2-chloro-1,3-benzothiazole (CAS: 80945-86-4) reflects growing research interest in its use as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Recent studies highlight its potential in developing new compounds with unique properties, contributing to the expanding market in these sectors.

How should waste containing 6-Bromo-2-chloro-1,3-benzothiazole (CAS: 80945-86-4) be handled?

Waste containing 6-Bromo-2-chloro-1,3-benzothiazole (CAS: 80945-86-4) should be collected in appropriate containers and stored separately from other waste materials. For disposal, it is recommended to incinerate the waste under controlled conditions or use professional waste disposal services that comply with local environmental regulations. Proper labeling and documentation are essential to ensure safe handling and disposal.