CAS 98-64-6|4-Chlorobenzenesulfonamide

Introduction：Basic information about CAS 98-64-6|4-Chlorobenzenesulfonamide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles4
7. Synonyms

Common Name	4-Chlorobenzenesulfonamide
CAS Number	98-64-6	Molecular Weight	191.635
Density	1.5±0.1 g/cm3	Boiling Point	342.2±44.0 °C at 760 mmHg
Molecular Formula	C₆H₆ClNO₂S	Melting Point	140-144 °C(lit.)
MSDS	ChineseUSA	Flash Point	160.8±28.4 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	4-Chlorobenzenesulfonamide
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	342.2±44.0 °C at 760 mmHg
Melting Point	140-144 °C(lit.)
Molecular Formula	C₆H₆ClNO₂S
Molecular Weight	191.635
Flash Point	160.8±28.4 °C
Exact Mass	190.980774
PSA	68.54000
LogP	0.84
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.591
InChIKey	HHHDJHHNEURCNV-UHFFFAOYSA-N
SMILES	NS(=O)(=O)c1ccc(Cl)cc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DB1400000

CHEMICAL NAME :: Benzenesulfonamide, p-chloro-

CAS REGISTRY NUMBER :: 98-64-6

BEILSTEIN REFERENCE NO. :: 1308891

LAST UPDATED :: 199709

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C6-H6-Cl-N-O2-S

MOLECULAR WEIGHT :: 191.64

WISWESSER LINE NOTATION :: ZSWR DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

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

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,20,1953

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2700 mg/kg

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

REFERENCE :: ABMGAJ Acta Biologica et Medica Germanica. (Berlin, Ger. Dem. Rep.) V.1-41, 1958-82. For publisher information, see BBIADT. Volume(issue)/page/year: 21,193,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

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

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36-S24/25
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	DB1400000
HS Code	2935009090

Customs

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%

Articles4

Determination of the content of 2-chlorobenzenesulphonamide and bis(p-chlorophenyl) sulphone in 4-chlorobenzenesulphonamide.

J. Chromatogr. A. 333(1) , 253-5, (1985)

Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters.

Bioorg. Med. Chem. Lett. 15 , 931-6, (2005)

A novel use of NMR chemical shift of the SO(2)NH(2) protons (in dioxane as solvent) as a molecular descriptor is described for modeling the inhibition constant for benzene sulfonamides against the zin...

Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II).

Bioorg. Med. Chem. Lett. 21 , 141-4, (2011)

We proposed a novel QSAR (quantitative structure-activity relationship) procedure called LERE (linear expression by representative energy terms)-QSAR involving molecular calculations such as ab initio...

Synonyms

4-Chlorobenzenesulfonamide

PCBS

p-chlorophenylsulfonamide

4-Chlorophenylsulfonamide

p-chlorophenyl sulfonylamine

USAF ma-3

EINECS 202-689-5

Benzenesulfonamide, 4-chloro-

MFCD00007936

p-ClC6H4SO2NH2

p-Chlorobenzenesulfon

4-chlorobenzenesulphonamide

p-Chlorobenzenesulfonamide

4-chlorobenzene sulfonamide

p-Chlorobenzenesulfamide

Recommended......