3-nitrobenzothiophene

Modify Date: 2025-08-25 15:55:00

3-nitrobenzothiophene Structure
3-nitrobenzothiophene structure
 Common Name 3-nitrobenzothiophene
CAS Number 17402-80-1 Molecular Weight 179.19600
Density 1.435g/cm3 Boiling Point 324.6ºC at 760mmHg
Molecular Formula C8H5NO2S Melting Point N/A
MSDS N/A Flash Point 150.1ºC

 Names

Name 3-nitro-1-benzothiophene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.435g/cm3
Boiling Point 324.6ºC at 760mmHg
Molecular Formula C8H5NO2S
Molecular Weight 179.19600
Flash Point 150.1ºC
Exact Mass 179.00400
PSA 74.06000
LogP 3.33270
Vapour Pressure 0.000461mmHg at 25°C
Index of Refraction 1.714

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL9700000
CHEMICAL NAME :
Benzothiophene, 3-nitro-
CAS REGISTRY NUMBER :
17402-80-1
BEILSTEIN REFERENCE NO. :
0135966
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H5-N-O2-S
MOLECULAR WEIGHT :
179.20
WISWESSER LINE NOTATION :
T56 BSJ DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,63,1954
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,695,1955

 Safety Information

HS Code 2934999090

 Synthetic Route

Thianaphthene structure

Thianaphthene

CAS#:95-15-8

~80%

3-nitrobenzothiophene Structure

3-nitrobenzothi...

CAS#:17402-80-1

Literature: Tanemura, Kiyoshi; Suzuki, Tsuneo; Nishida, Yoko; Satsumabayashi, Koko; Horaguchi, Takaaki Journal of Chemical Research - Part S, 2003 , # 8 p. 497 - 499
N/A structure

N/A

CAS#:89978-83-6

~%

3-nitrobenzothiophene Structure

3-nitrobenzothi...

CAS#:17402-80-1

Literature: Chem. Zentralbl., , vol. 68, # II p. 270
nitric acid structure

nitric acid

CAS#:7697-37-2

acetic acid structure

acetic acid

CAS#:64-19-7

Thianaphthene structure

Thianaphthene

CAS#:95-15-8

~%

3-nitrobenzothiophene Structure

3-nitrobenzothi...

CAS#:17402-80-1

Detail
Literature: Journal of the Chemical Society [Section] C: Organic, , p. 1766,1769, 1774

 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

3-Nitrobenzothiophene
Thianaphthene,3-nitro
3-Nitrothianaphthene
3-Nitro-benzo[b]thiophen
3-nitro-benzo[b]thiophene
BENZOTHIOPHENE,3-NITRO
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