4-Chlorobenzenesulfonamide

Modify Date: 2024-01-02 21:16:40

4-Chlorobenzenesulfonamide Structure
4-Chlorobenzenesulfonamide structure
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 Chinese USA Flash Point 160.8±28.4 °C
Symbol GHS07
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

 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
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

 Synthetic Route

 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

More Articles
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
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