3-nitrobenzothiophene

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

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

Name	3-nitro-1-benzothiophene
Synonym	More Synonyms

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

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

HS Code	2934999090

Thianaphthene

CAS#:95-15-8

~80%

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

CAS#:89978-83-6

3-nitrobenzothi...

CAS#:17402-80-1

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

nitric acid

CAS#:7697-37-2

acetic acid

CAS#:64-19-7

Thianaphthene

CAS#:95-15-8

3-nitrobenzothi...

CAS#:17402-80-1

Detail

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

Precursor 3
CAS#:95-15-8 Thianaphthene CAS#:7697-37-2 nitric acid CAS#:64-19-7 acetic acid
DownStream 4
CAS#:23692-83-3 3,4-Dinitrobenz... CAS#:23692-82-2 3,5-dinitro-ben... CAS#:10133-34-3 4-Nitro-1-benzo... CAS#:17402-83-4 1-benzothiophen...