5-Bromo-benzo[d]isothiazole-3-carboxylic acid

Modify Date: 2025-08-25 12:13:20

5-Bromo-benzo[d]isothiazole-3-carboxylic acid Structure
5-Bromo-benzo[d]isothiazole-3-carboxylic acid structure
Common Name 5-Bromo-benzo[d]isothiazole-3-carboxylic acid
CAS Number 677304-78-8 Molecular Weight 258.09200
Density 1.912g/cm3 Boiling Point 337.5ºC at 760 mmHg
Molecular Formula C8H4BrNO2S Melting Point N/A
MSDS N/A Flash Point 157.9ºC

 Names

Name 5-bromo-1,2-benzothiazole-3-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.912g/cm3
Boiling Point 337.5ºC at 760 mmHg
Molecular Formula C8H4BrNO2S
Molecular Weight 258.09200
Flash Point 157.9ºC
Exact Mass 256.91500
PSA 78.43000
LogP 2.75700
Index of Refraction 1.753
InChIKey LJSFFGFRQGXQEE-UHFFFAOYSA-N
SMILES O=C(O)c1nsc2ccc(Br)cc12

 Safety Information

HS Code 2934999090

 Synthetic Route

~%

5-Bromo-benzo[d]isothiazole-3-carboxylic acid Structure

5-Bromo-benzo[d...

CAS#:677304-78-8

Literature: ACS Medicinal Chemistry Letters, , vol. 1, # 1 p. 19 - 23

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

5-Bromo-1,2-benzisothiazole-3-carboxylic acid
5-bromobenzisothiazole-3-carboxylic acid
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