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Substance Name: Benzo(b)thiophene-4-ol
RN: 3610-02-4
InChIKey: BMRZGYNNZTVECK-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-O-S

Molecular Weight

  • 150.2
 
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Names and Synonyms

Synonyms

  • 1-Benzothiophene-4-ol
  • 4-Hydroxybenzo(b)thiophene
  • 4-Hydroxybenzothiophene
  • 5-17-04-00199 (Beilstein Handbook Reference)
  • BRN 0114904
  • EINECS 222-776-1

Systematic Name

  • Benzo(b)thiophene-4-ol

Registry Numbers

CAS Registry Number

  • 3610-02-4

System Generated Number

  • 0003610024

Structure Descriptors

InChI

1S/C8H6OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,9H

InChIKey

BMRZGYNNZTVECK-UHFFFAOYSA-N

Smiles

c12c(cccc1O)scc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09273,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 79.8 deg C   EXP
log P (octanol-water) 2.510 (none)   EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.