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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4H-1-Benzothiopyran-4-one,3-(chloromethyl)-, 1,1-dioxide
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77694-48-5

77694-48-5 structure

77694-48-5 structure

Name: 4H-1-Benzothiopyran-4-one,3-(chloromethyl)-, 1,1-dioxide
Chemical Name: 3-(chloromethyl)-1,1-dioxothiochromen-4-one
CAS Number: 77694-48-5
Molecular Formula: C₁₀H₇ClO₃S
Molecular Weight: 242.67900
Create Date: 2016-03-27 21:15:02
Modify Date: 2025-08-25 11:17:01

Name	3-(chloromethyl)-1,1-dioxothiochromen-4-one
Synonyms	3-(chloromethyl)thiochromone 1,1-dioxide 1-Thiochromone,3-(chloromethyl)-,1,1-dioxide 4h-1-benzothiopyran-4-one,3-(chloromethyl)-,1,1-dioxide(9ci)

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

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

HS Code	2930909090

50-00-0 structure

50-00-0

22810-27-1 structure

22810-27-1

~63%

77694-48-5 structure

77694-48-5

Literature: Holshouser, Mark H.; Loeffler, Larry J.; Hall, Iris H. Journal of Medicinal Chemistry, 1981 , vol. 24, # 7 p. 853 - 858

491-39-4 structure

491-39-4

~%

77694-48-5 structure

77694-48-5

Literature: Holshouser, Mark H.; Loeffler, Larry J.; Hall, Iris H. Journal of Medicinal Chemistry, 1981 , vol. 24, # 7 p. 853 - 858

Precursor 3
50-00-0 22810-27-1 491-39-4
DownStream 0

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%

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