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

Modify Date: 2024-01-16 18:15:36

1-Thio-4-chromanone-2-acetic acid Structure
1-Thio-4-chromanone-2-acetic acid structure
 Common Name 1-Thio-4-chromanone-2-acetic acid
CAS Number 86628-18-4 Molecular Weight 222.26000
Density 1.351g/cm3 Boiling Point 445.2ºC at 760 mmHg
Molecular Formula C11H10O3S Melting Point N/A
MSDS N/A Flash Point 223.1ºC

 Names

Name 2-(4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid
Synonym More Synonyms

 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

GLUTACONIC ACID structure

GLUTACONIC ACID

CAS#:628-48-8

Thiophenol structure

Thiophenol

CAS#:108-98-5

~%

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

1-Thio-4-chroma...

CAS#:86628-18-4

Literature: Okubo, Taketoshi; Yoshikawa, Ryoko; Chaki, Shigeyuki; Okuyama, Shigeru; Nakazato, Atsuro Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 13 p. 3569 - 3580
3-Phenylthioglutaric acid structure

3-Phenylthioglu...

CAS#:86628-15-1

~54%

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

1-Thio-4-chroma...

CAS#:86628-18-4

Literature: Shridhar, D. R.; Sastry, C. V. Reddy; Lal, B. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 300 - 302
dimethyl pent-2-enedioate structure

dimethyl pent-2...

CAS#:41527-39-3

~%

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

1-Thio-4-chroma...

CAS#:86628-18-4

Literature: Shridhar, D. R.; Sastry, C. V. Reddy; Lal, B. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 300 - 302
Thiophenol structure

Thiophenol

CAS#:108-98-5

~%

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

1-Thio-4-chroma...

CAS#:86628-18-4

Literature: Shridhar, D. R.; Sastry, C. V. Reddy; Lal, B. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 300 - 302

 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%

 Synonyms

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
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