4H-1-Benzothiopyran-4-one,3-(chloromethyl)-, 1,1-dioxide
Names
[ CAS No. ]:
77694-48-5
[ Name ]:
4H-1-Benzothiopyran-4-one,3-(chloromethyl)-, 1,1-dioxide
[Synonym ]:
3-(chloromethyl)thiochromone 1,1-dioxide
1-Thiochromone,3-(chloromethyl)-,1,1-dioxide
4h-1-benzothiopyran-4-one,3-(chloromethyl)-,1,1-dioxide(9ci)
Chemical & Physical Properties
[ Density]:
1.488g/cm3
[ Boiling Point ]:
435.2ºC at 760 mmHg
[ Molecular Formula ]:
C10H7ClO3S
[ Molecular Weight ]:
242.67900
[ Flash Point ]:
217ºC
[ Exact Mass ]:
241.98000
[ PSA ]:
59.59000
[ LogP ]:
2.86010
[ Index of Refraction ]:
1.611
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XK6420000
- CHEMICAL NAME :
- 1-Thiochromone, 3-(chloromethyl)-, 1,1-dioxide
- CAS REGISTRY NUMBER :
- 77694-48-5
- LAST UPDATED :
- 199707
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H7-Cl-O3-S
- MOLECULAR WEIGHT :
- 242.68
- WISWESSER LINE NOTATION :
- T66 BSW EVJ D1G
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- DNA inhibition
- TYPE OF TEST :
- Mutation test systems - not otherwise specified
MUTATION DATA
- TYPE OF TEST :
- Mutation test systems - not otherwise specified
- TEST SYSTEM :
- Rodent - mouse Ascites tumor
- DOSE/DURATION :
- 360 umol/L
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 71,857,1982
Safety Information
[ HS Code ]:
2930909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2930909090
[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%