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Substance Name: 2-Methyl-4,5-benzo-oxazole
RN: 95-21-6
UNII: Z0P021V3TI
InChIKey: DQSHFKPKFISSNM-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H7-N-O

Molecular Weight

  • 133.1493
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-4,5-benzo-oxazole

Synonyms

  • 2-Methylbenzoxazol
  • 2-Methylbenzoxazol [Czech]
  • 2-Methylbenzoxazole
  • EINECS 202-399-9
  • NSC 3824
  • UNII-Z0P021V3TI
  • USAF EK-982

Systematic Names

  • 2-Methylbenzoxazole
  • Benzoxazole, 2-methyl-

Registry Numbers

CAS Registry Number

  • 95-21-6

FDA UNII

  • Z0P021V3TI

System Generated Number

  • 0000095216

Structure Descriptors

InChI

InChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

InChIKey

DQSHFKPKFISSNM-UHFFFAOYSA-N

Smiles

Cc1oc2ccccc2n1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD40 oral 1100mg/kg (1100mg/kg)   Journal of the American Chemical Society. Vol. 67, Pg. 905, 1945.
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 9.5 deg C   EXP
Boiling Point 200.5 deg C   EXP
log P (octanol-water) 2.600 (none)   EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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