5-Nitro-1,2-benzisothiazole

Modify Date: 2025-09-18 16:29:56

5-Nitro-1,2-benzisothiazole Structure
5-Nitro-1,2-benzisothiazole structure
Common Name 5-Nitro-1,2-benzisothiazole
CAS Number 60768-66-3 Molecular Weight 180.184
Density 1.5±0.1 g/cm3 Boiling Point 247.2±22.0 °C at 760 mmHg
Molecular Formula C7H4N2O2S Melting Point N/A
MSDS N/A Flash Point 103.3±22.3 °C

 Names

Name 5-Nitrobenzo[d]isothiazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 247.2±22.0 °C at 760 mmHg
Molecular Formula C7H4N2O2S
Molecular Weight 180.184
Flash Point 103.3±22.3 °C
Exact Mass 179.999344
PSA 86.95000
LogP 2.25
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.730
InChIKey AUYJMVMBVRSCMW-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc2sncc2c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DE4164200
CHEMICAL NAME :
1,2-Benzisothiazole, 5-nitro-
CAS REGISTRY NUMBER :
60768-66-3
BEILSTEIN REFERENCE NO. :
0147222
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H4-N2-O2-S
MOLECULAR WEIGHT :
180.19

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Bacteria - Bacillus subtilis
DOSE/DURATION :
1200 ug/disk
REFERENCE :
FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella Postale 227, 27100 Pavia, Italy) V.44- 1989- Volume(issue)/page/year: 46,639,1991

 Safety Information

HS Code 2934999090

 Synthetic Route

~96%

5-Nitro-1,2-benzisothiazole Structure

5-Nitro-1,2-ben...

CAS#:60768-66-3

Literature: AMERICAN CYANAMID COMPANY Patent: EP1150962 B1, 2004 ; Location in patent: Page 51 ;

 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-Nitrobenz[d]isothiazole
1,2-Benzisothiazole, 5-nitro-
5-Nitro-1,2-benzothiazole
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