4-Chlorobenzenesulfonamide
Names
[ CAS No. ]:
98-64-6
[ Name ]:
4-Chlorobenzenesulfonamide
[Synonym ]:
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
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
MSDS
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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
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...