5-chloro-3-methyl-benzooxazol-2-one

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Names

[ CAS No. ]:
5790-90-9

[ Name ]:
5-chloro-3-methyl-benzooxazol-2-one

[Synonym ]:
5-Chloro-3-methyl-2-benzoxazolinone
3-Methyl-5-chloro-2-benzoxazolinon
5-chloro-3-methyl-3H-benzooxazol-2-one
2-BENZOXAZOLINONE,5-CHLORO-3-METHYL
5-Chlor-2-oxo-3-methyl-2.3-dihydro-benzoxazol
5-Chlor-3-methyl-3H-benzoxazol-2-on
3-methyl-5-chloro-2-benzoxazolinone
5-chloro-3-methyl-3H-benzoxazol-2-one

Chemical & Physical Properties

[ Density]:
1.422g/cm3

[ Boiling Point ]:
294ºC at 760 mmHg

[ Molecular Formula ]:
C8H6ClNO2

[ Molecular Weight ]:
183.59200

[ Flash Point ]:
131.6ºC

[ Exact Mass ]:
183.00900

[ PSA ]:
35.14000

[ LogP ]:
1.78490

[ Index of Refraction ]:
1.599

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM5265000
CHEMICAL NAME :
2-Benzoxazolinone, 5-chloro-3-methyl-
CAS REGISTRY NUMBER :
5790-90-9
BEILSTEIN REFERENCE NO. :
0140893
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H6-Cl-N-O2
MOLECULAR WEIGHT :
183.60
WISWESSER LINE NOTATION :
T56 BNVOJ B1 HG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),341,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),340,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),340,1964

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Chlorzoxazone
  • Dimethyl sulfate
  • 2(3H)-Benzoxazolimine,5-chloro-3-methyl-
  • Zoxazolamine
  • Methanol

DownStream

  • 5-chloro-3-methyl-6-nitro-benzooxazol-2-one
  • 6-amino-5-chloro-3-methyl-benzooxazol-2-one

Related Compounds

  • 6-amino-5-chloro-3-methyl-benzooxazol-2-one
  • 5-chloro-3-methyl-6-nitro-benzooxazol-2-one
  • 5-chloro-3-(3-oxobutan-2-yl)-1,3-benzoxazol-2-one
  • 5-chloro-3-(3-hydroxyiminobutan-2-yl)-1,3-benzoxazol-2-one
  • 5-chloro-3-methyl-2-cyclopenten-1-one
  • 5-Chloro-3-methyl-2,3-dihydro-1H-inden-1-one
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 5-chloro-N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)thiophene-2-sulfonamide
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide