3-nitrobenzothiophene

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Names

[ CAS No. ]:
17402-80-1

[ Name ]:
3-nitrobenzothiophene

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

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thianaphthene
  • nitric acid
  • acetic acid

DownStream

  • 3,4-Dinitrobenzo[b]thiophene
  • 3,5-dinitro-benzo[b]thiophene
  • 4-Nitro-1-benzothiophene
  • 1-benzothiophen-4-amine

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%

Related Compounds

  • 3-(1-thiophen-3-ylpropyl)thiophene
  • 3-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-4-methoxy-benzenesulfonyl fluoride
  • 3-isothiocyanatopropanoyl chloride
  • 3-(4-amino-2-cyanoimino-5,6-dihydropyrimidin-1-yl)propanenitrile
  • 3-[(4-chloro-3-methyl-phenoxy)methyl]-5-(4-fluorophenyl)-4-(4-methylph enyl)-1,2,4-triazole
  • 3-CHLORO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
  • 2-Phenyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
  • N-[1-(5-Methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]-2-(trifluoromethyl)benzamide
  • 4-(4-Phenylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroquinazoline
  • N-[1-(5-Methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]-4-phenyloxane-4-carboxamide
  • N-(5-Fluoro-6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
  • N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]pyrimidin-4-amine
  • N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
  • N-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
  • 4-Cyclopropyl-6-(4-phenylpiperazine-1-carbonyl)pyrimidine
  • 2-Bromo-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]benzamide
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