1-Thio-4-chromanone-2-acetic acid

Names

[ Name ]:
1-Thio-4-chromanone-2-acetic acid

[Synonym ]:
3,4-Dihydro-4-oxo-2H-1-benzothiopyran-2-acetic acid
2H-1-Benzothiopyran-2-acetic acid,3,4-dihydro-4-oxo
1-Thio-4-chromanone-2-acetic acid

Chemical & Physical Properties

[ Density]:
1.351g/cm3

[ Boiling Point ]:
445.2ºC at 760 mmHg

[ Molecular Formula ]:
C₁₁H₁₀O₃S

[ Molecular Weight ]:
222.26000

[ Flash Point ]:
223.1ºC

[ Exact Mass ]:
222.03500

[ PSA ]:
79.67000

[ LogP ]:
2.20840

[ Index of Refraction ]:
1.617

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL9828760

CHEMICAL NAME :: 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-

CAS REGISTRY NUMBER :: 86628-18-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H10-O3-S

MOLECULAR WEIGHT :: 222.27

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 :: 791 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 22,300,1983

Safety Information

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%