Benzenesulfonamide,4-isothiocyanato-N-2-pyrimidinyl-

Modify Date: 2025-09-13 11:42:08

Benzenesulfonamide,4-isothiocyanato-N-2-pyrimidinyl- structure	Common Name	Benzenesulfonamide,4-isothiocyanato-N-2-pyrimidinyl-
	CAS Number	64047-46-7	Molecular Weight	292.33700
	Density	1.45g/cm3	Boiling Point	528.4ºC at 760 mmHg
	Molecular Formula	C₁₁H₈N₄O₂S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	273.4ºC

Name	4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide
Synonym	More Synonyms

Density	1.45g/cm3
Boiling Point	528.4ºC at 760 mmHg
Molecular Formula	C₁₁H₈N₄O₂S₂
Molecular Weight	292.33700
Flash Point	273.4ºC
Exact Mass	292.00900
PSA	124.78000
LogP	3.16550
Index of Refraction	1.699
InChIKey	HZRFQEQYOQGXDQ-UHFFFAOYSA-N
SMILES	O=S(=O)(Nc1ncccn1)c1ccc(N=C=S)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX9450000

CHEMICAL NAME :: Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester

CAS REGISTRY NUMBER :: 64047-46-7

BEILSTEIN REFERENCE NO. :: 0268862

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H8-N4-O2-S2

MOLECULAR WEIGHT :: 292.35

WISWESSER LINE NOTATION :: T6N CNJ BSWMR DNCS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 4,229,1952

HS Code	2935009090

Sulfadiazine

CAS#:68-35-9

Benzenesulfonam...

CAS#:64047-46-7

Literature: McKee; Bost Journal of the American Chemical Society, 1946 , vol. 68, p. 2506

Thiophosgene

CAS#:463-71-8

Sulfadiazine

CAS#:68-35-9

Benzenesulfonam...

CAS#:64047-46-7

Literature: El-Gaby, Mohamed S.A.; El-Hag Ali, Gameel A.M.; El-Maghraby, Ahmed A.; Abd El-Rahman, Mohamed T.; Helal, Mohamed H.M. European Journal of Medicinal Chemistry, 2009 , vol. 44, # 10 p. 4148 - 4152

Precursor 2
CAS#:68-35-9 Sulfadiazine CAS#:463-71-8 Thiophosgene
DownStream 0

HS Code	2935009090
Summary	2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

4-isothiocyanato-benzenesulfonic acid pyrimidin-2-ylamide

p-(2-Pyrimidylsulfamyl)phenyl isothiocyanate

ISOTHIOCYANIC ACID,p-(2-PYRIMIDYLSULFAMYL)PHENYL ESTER

4-isothiocyanato-N-(pyrimidin-2-yl)benzenesulfonamide

4-Isothiocyanato-benzolsulfonsaeure-pyrimidin-2-ylamid

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Product Name: Benzenesulfonamide,4-isothiocyanato-N-2-pyrimidinyl-
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Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY 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.