4,6-Dimethyl-2(3H)-benzothiazolone

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Names

[ CAS No. ]:
80567-67-5

[ Name ]:
4,6-Dimethyl-2(3H)-benzothiazolone

[Synonym ]:
4,6-Dimethyl-2(3H)-benzothiazolone
2(3H)-Benzothiazolone,4,6-dimethyl
4,6-Dimethyl-2(3H)-benzothiazolon [German]
4,6-dimethyl-2-benzothiazolinone
4,6-Dimethyl-2(3H)-benzothiazolon

Chemical & Physical Properties

[ Density]:
1.252 g/cm3

[ Molecular Formula ]:
C9H9NOS

[ Molecular Weight ]:
179.23900

[ Exact Mass ]:
179.04000

[ PSA ]:
61.10000

[ LogP ]:
2.20640

[ Index of Refraction ]:
1.623

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL7140000
CHEMICAL NAME :
2(3H)-Benzothiazolone, 4,6-dimethyl-
CAS REGISTRY NUMBER :
80567-67-5
LAST UPDATED :
199606
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N-O-S
MOLECULAR WEIGHT :
179.25

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 :
2920 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #3345702
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #39818

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ethyl 4,6-dimethyl-2-iodophenylcarbamate

DownStream

Related Compounds

  • 4,6-Dimethyl-2(3H)-benzofuranone
  • 4,6-DICHLORO-2(3H)-BENZOTHIAZOLONE HYDRAZONE
  • 4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxylic acid
  • 4,6-dimethyl-2,2-dipentyl-3H-1-benzofuran-5-ol
  • 4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one
  • 4,6-Dimethyl-2-hydroxypyrimidine
  • 3-(3-Bromopyridin-4-yl)-2,2-difluoropropan-1-amine
  • 1-(3-Bromoprop-1-en-2-yl)-2,3-dichlorobenzene
  • rac-(3R,4S)-4-[4-(2-chloropropan-2-yl)-1H-1,2,3-triazol-1-yl]oxolan-3-ol
  • 2-(2-Nitrophenoxy)-1,1a(2)-biphenyl
  • tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-sulfanylethyl)carbamate
  • rac-(3R,4S)-4-(4-tert-butyl-1H-1,2,3-triazol-1-yl)oxolan-3-ol
  • tert-butyl N-[2-(2-hydroxy-5-nitrophenyl)-1-oxopropan-2-yl]carbamate
  • 2-amino-N-(3-methylbutan-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
  • rac-(2R,4S)-2-({[(prop-2-en-1-yloxy)carbonyl]amino}methyl)piperidine-4-carboxylic acid
  • 1-Acetyl-5-(dimethylcarbamoyl)piperidine-2-carboxylic acid
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