1,2-benzothiazole-3-carboxylic acid

Modify Date: 2026-07-06 16:03:25

1,2-benzothiazole-3-carboxylic acid structure	Common Name	1,2-benzothiazole-3-carboxylic acid
	CAS Number	40991-34-2	Molecular Weight	179.19600
	Density	1.508g/cm3	Boiling Point	279.7ºC at 760 mmHg
	Molecular Formula	C₈H₅NO₂S	Melting Point	N/A
	MSDS	USA	Flash Point	122.9ºC

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

Density	1.508g/cm3
Boiling Point	279.7ºC at 760 mmHg
Molecular Formula	C₈H₅NO₂S
Molecular Weight	179.19600
Flash Point	122.9ºC
Exact Mass	179.00400
PSA	78.43000
LogP	1.99450
Index of Refraction	1.731
InChIKey	KTORKRBAIRTBCP-UHFFFAOYSA-N
SMILES	O=C(O)c1nsc2ccccc12

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DE4160900

CHEMICAL NAME :: 1,2-Benzisothiazole-3-carboxylic acid

CAS REGISTRY NUMBER :: 40991-34-2

BEILSTEIN REFERENCE NO. :: 0136252

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H5-N-O2-S

MOLECULAR WEIGHT :: 179.20

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 670 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 29,109,1974

HS Code	2934999090

benzo[d]isothia...

CAS#:16807-21-9

~97%

1,2-benzothiazo...

CAS#:40991-34-2

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Literature: Intellectual Property Department BASF Aktiengesellschaft Patent: US2002/28748 A1, 2002 ;

Thiophenol

CAS#:108-98-5

1,2-benzothiazo...

CAS#:40991-34-2

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Literature: Intellectual Property Department BASF Aktiengesellschaft Patent: US2002/28748 A1, 2002 ;

Benzo[b]thiophe...

CAS#:493-57-2

1,2-benzothiazo...

CAS#:40991-34-2

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Literature: Intellectual Property Department BASF Aktiengesellschaft Patent: US2002/28748 A1, 2002 ;

Precursor 3
CAS#:16807-21-9 benzo[d]isothia... CAS#:108-98-5 Thiophenol CAS#:493-57-2 Benzo[b]thiophe...
DownStream 1
CAS#:677304-78-8 5-Bromo-benzo[d...

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

Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303

Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979

Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750

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acido 1,2-benzisotiazol-3-ilcarbossilico

benzisothiazole-3-carboxylic acid

1,2-benzoisothiazole-3-carboxylic acid

Acido 3-benzisotiazolcarbossilic

1,2-Benzisothiazole-3-carboxylic acid

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1,2-benzothiazole-3-carboxylic acid

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

1,2-benzothiazole-3-carboxylic acidBioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.