3-propan-2-yl-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-olate

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Names

[ CAS No. ]:
6939-17-9

[ Name ]:
3-propan-2-yl-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-olate

[Synonym ]:
Sydnone,3-isopropyl
3-isopropyl-sydnone

Chemical & Physical Properties

[ Molecular Formula ]:
C5H8N2O2

[ Molecular Weight ]:
128.12900

[ Exact Mass ]:
128.05900

[ PSA ]:
52.97000

[ LogP ]:
0.68680

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WU7690000
CHEMICAL NAME :
Sydnone, 3-isopropyl-
CAS REGISTRY NUMBER :
6939-17-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H8-N2-O2
MOLECULAR WEIGHT :
128.15
WISWESSER LINE NOTATION :
T5NNOVJ AY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
488 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 51,1058,1962

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-(nitroso-propan-2-yl-amino)acetic acid
  • (ISOPROPYLAMINO)ACETIC ACID
  • Glycine,N-(1-methylethyl)-, ethyl ester

DownStream

  • Isopropylhydrazine

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • N4-2-Pyrimidinyl-3,4-pyridinediamine
  • 2,4-Difluoro-3-iodophenol
  • 2-Methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
  • 2,3,3-Trimethyl-1-(pent-4-yn-1-yl)-3H-indol-1-ium iodide
  • 5-Chloro-2-ethynyl-4-thiazoleacetic acid ethyl ester
  • 4-[6-Chloro-3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol
  • 4-[3-(2-Ethyl-6-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol
  • (1S)-6-Fluoro-1,2,3,4-tetrahydronaphthalen-1-OL
  • (S)-1-(5-Fluoro-2-methylphenyl)but-3-EN-1-amine
  • (2R)-N-cyclobutylpiperidine-2-carboxamide
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