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Substance Name: Benzothiazole
RN: 95-16-9
UNII: G5BW2593EP
InChIKey: IOJUPLGTWVMSFF-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H5-N-S

Molecular Weight

  • 135.1895
 
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Names and Synonyms

Name of Substance

  • Benzothiazole

Synonyms

  • 1-Thia-3-azaindene
  • 4-27-00-01069 (Beilstein Handbook Reference)
  • AI3-05742
  • Benzosulfonazole
  • Benzothiazole
  • BRN 0109468
  • CCRIS 7893
  • EC 202-396-2
  • EINECS 202-396-2
  • FEMA No. 3256
  • FEMA Number 3256
  • HSDB 2796
  • NSC 8040
  • O-2857
  • UNII-G5BW2593EP
  • USAF EK-4812
  • Vangard BT

Systematic Name

  • Benzothiazole

Superlist Name

  • Benzothiazole

Registry Numbers

CAS Registry Number

  • 95-16-9

FDA UNII

  • G5BW2593EP

Other Registry Number

  • 128366-28-9

System Generated Number

  • 0000095169

Structure Descriptors

InChI

1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

InChIKey

IOJUPLGTWVMSFF-UHFFFAOYSA-N

Smiles

c12c(scn1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 100mg/kg (100mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION Journal of Pharmacology and Experimental Therapeutics. Vol. 45, Pg. 189, 1932.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 95mg/kg (95mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.
mouse LD50 oral 900mg/kg (900mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
mouse LD50 unreported 310mg/kg (310mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 9(12), Pg. 11, 1975.
rabbit LDLo skin 200mg/kg (200mg/kg) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI

BEHAVIORAL: FOOD INTAKE (ANIMAL)

LIVER: OTHER CHANGES
National Technical Information Service. Vol. OTS0534825,
rat LC inhalation > 1400mg/m3/6H (1400mg/m3)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1190-0987S,
rat LD50 oral 380mg/kg (380mg/kg) LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI

BEHAVIORAL: FOOD INTAKE (ANIMAL)
National Technical Information Service. Vol. OTS0534825,
rat LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 45, Pg. 189, 1932.
rat LDLo intravenous 200mg/kg (200mg/kg) BEHAVIORAL: IRRITABILITY

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION
Journal of Pharmacology and Experimental Therapeutics. Vol. 45, Pg. 189, 1932.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 2 deg C   EXP
Boiling Point 231 deg C   EXP
log P (octanol-water) 2.01 (none)   EXP
Water Solubility 4300 mg/L 25 EXP
Vapor Pressure 0.014 mm Hg 25 EST
Henry's Law Constant 3.74E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.00E-12 cm3/molecule-sec 25 EST

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