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Substance Name: Benzoxazole, 2-chloro-
RN: 615-18-9
InChIKey: BBVQDWDBTWSGHQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H4-Cl-N-O

Molecular Weight

  • 153.568
 
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Names and Synonyms

Synonyms

  • 2-27-00-00017 (Beilstein Handbook Reference)
  • 2-Chlorobenzoxazole
  • BRN 0115982
  • EINECS 210-414-5
  • NSC 8439

Systematic Names

  • 2-Chlorobenzoxazole
  • Benzoxazole, 2-chloro-

Registry Numbers

CAS Registry Number

  • 615-18-9

System Generated Number

  • 0000615189

Structure Descriptors

InChI

1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

InChIKey

BBVQDWDBTWSGHQ-UHFFFAOYSA-N

Smiles

c12c(oc(n1)Cl)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 337, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 7 deg C   EXP
Boiling Point 201.5 deg C   EXP
log P (octanol-water) 2.360 (none)   EST
Atmospheric OH Rate Constant 6.33E-12 cm3/molecule-sec 25 EST

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