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

Modify Date: 2025-08-25 11:17:01

4H-1-Benzothiopyran-4-one,3-(chloromethyl)-, 1,1-dioxide structure	Common Name	4H-1-Benzothiopyran-4-one,3-(chloromethyl)-, 1,1-dioxide
	CAS Number	77694-48-5	Molecular Weight	242.67900
	Density	1.488g/cm3	Boiling Point	435.2ºC at 760 mmHg
	Molecular Formula	C₁₀H₇ClO₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	217ºC

Name	3-(chloromethyl)-1,1-dioxothiochromen-4-one
Synonym	More Synonyms

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
InChIKey	BDRWMOVNTQHPKN-UHFFFAOYSA-N
SMILES	O=C1C(CCl)=CS(=O)(=O)c2ccccc21

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

Formaldehyde

CAS#:50-00-0

4H-1-Benzothiop...

CAS#:22810-27-1

~63%

4H-1-Benzothiop...

CAS#:77694-48-5

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

thiochromen-4-one

CAS#:491-39-4

4H-1-Benzothiop...

CAS#: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
CAS#:50-00-0 Formaldehyde CAS#:22810-27-1 4H-1-Benzothiop... CAS#:491-39-4 thiochromen-4-one
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%

3-(chloromethyl)thiochromone 1,1-dioxide

1-Thiochromone,3-(chloromethyl)-,1,1-dioxide

4h-1-benzothiopyran-4-one,3-(chloromethyl)-,1,1-dioxide(9ci)

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Product Name: 4H-1-Benzothiopyran-4-one,3-(chloromethyl)-, 1,1-dioxide
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Purity: 98.0%
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4H-1-Benzothiopyran-4-one,3-(chloromethyl)-, 1,1-dioxide

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.