4H-1-Benzothiopyran-4-one,3-(chloromethyl)-, 1,1-dioxide

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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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Formaldehyde
  • 4H-1-Benzothiopyran-4-one 1,1-dioxide
  • thiochromen-4-one

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%

Related Compounds

  • tert-butyl N-[1-(2-amino-1H-imidazol-5-yl)ethyl]-N-methylcarbamate
  • tert-butyl N-[1-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]carbamate
  • Tert-butyl 2-[1-(aminomethyl)-3-hydroxycyclobutyl]pyrrolidine-1-carboxylate
  • tert-butyl N-{1-[1-(aminomethyl)-4-hydroxycyclohexyl]ethyl}-N-methylcarbamate
  • 3-Amino-2-(5-methyl-2-nitrophenyl)propan-1-ol
  • 2,4,5,7-Tetraamino-1,8-dihydroxyanthracene-9,10-dione
  • Tert-butyl 2-[1-(aminomethyl)-3,3-difluorocyclobutyl]pyrrolidine-1-carboxylate
  • tert-butyl N-[3-chloro-4-(3-oxobutyl)phenyl]carbamate
  • 4-[(4-Methoxy-3,5-dimethylpyridin-2-yl)methyl]-2-(thiomorpholine-4-carbonyl)morpholine
  • tert-butyl N-{4-[1-(2-aminopropan-2-yl)cyclopropyl]-3-chlorophenyl}carbamate
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