4-nitrophenyl-1,3-oxathiolane

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Names

[ CAS No. ]:
22391-06-6

[ Name ]:
4-nitrophenyl-1,3-oxathiolane

[Synonym ]:
4-Nitrophenyl-1,3-oxathiolane

Chemical & Physical Properties

[ Density]:
1.36g/cm3

[ Boiling Point ]:
386.8ºC at 760mmHg

[ Molecular Formula ]:
C9H9NO3S

[ Molecular Weight ]:
211.23800

[ Flash Point ]:
187.7ºC

[ Exact Mass ]:
211.03000

[ PSA ]:
80.35000

[ LogP ]:
2.88000

[ Vapour Pressure ]:
7.7E-06mmHg at 25°C

[ Index of Refraction ]:
1.62

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RP5502000
CHEMICAL NAME :
1,3-Oxathiolane, 2-(p-nitrophenyl)-
CAS REGISTRY NUMBER :
22391-06-6
BEILSTEIN REFERENCE NO. :
0384231
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H9-N-O3-S
MOLECULAR WEIGHT :
211.25
WISWESSER LINE NOTATION :
T5O CSTJ BR DNW

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 :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 17,235,1982

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Nitrobenzaldehyde
  • mercaptoethanol
  • Benzene,1-(diethoxymethyl)-4-nitro-
  • 2,2-diphenyl-1,3-oxathiolane

DownStream

  • 4-Nitrobenzaldehyde
  • 4-Nitrobenzoic acid
  • 1,3-Dioxolane,2-(4-nitrophenyl)-
  • TIMTEC-BB SBB003456
  • 2-(4-nitrophenyl)-1,3-dithiolane

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

  • trans-2-(4-Nitrophenyl)-1,3-oxathiolane S-oxide
  • 2-methyl-2-(4-nitrophenyl)-1,3-oxathiolane
  • (4-Nitrophenyl)(1,3-oxazol-2-yl)methanone
  • 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate
  • 4-nitrophenyl-1,3-sultan
  • (4-nitrophenyl) 1,3-dimethylindene-1-carboxylate