4-Chlorobenzenesulfonamide

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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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Chlorobenzenesulfonyl chloride
  • N-tert-butyl-4-chlorobenzenesulfonamide
  • Phenyl carbamate
  • N-allyl-4-chlorobenzenesulfonamide
  • Aqueous ammonia
  • Chlorobenzene
  • Anisole

DownStream

  • 4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzenesulfonamide
  • Benzenesulfonamide,4-chloro-N-(phenylmethyl)-
  • 4-Hydrazinobenzenesulfonamide
  • 4-(TRIFLUOROMETHYLSULFONYL)CHLOBENZENE
  • Benzamide,N-[(4-chlorophenyl)sulfonyl]-
  • N-[4-Chlorophenylsulfonyl]benzenecarboxamidine
  • chlorpropamide
  • 2,4-Dichlorobenzenesulfonamide
  • 1-(4-chlorophenyl)sulfonyl-3-prop-2-enylurea
  • Benzenesulfonamide,4-chloro-N-[(4-chlorophenyl)sulfonyl]-

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

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...


More Articles

Related Compounds

  • 3,4-chlorobenzenesulfonamide
  • N-boc-4-chlorobenzenesulfonamide
  • sodium,4-chlorobenzenesulfonamide
  • 2-amino-4-chlorobenzenesulfonamide
  • N-allyl-4-chlorobenzenesulfonamide
  • N-ethyl-4-chlorobenzenesulfonamide
  • 6-Bromo-2-[2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid
  • N-(3-Amino-2-methylphenyl)-2-methylpropanamide
  • 6-Bromo-2-[2-(3-bromophenyl)ethenyl]quinoline-4-carboxylic acid
  • N-(3-amino-2-methylphenyl)propanamide
  • [4-[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]-(5-methylthiophen-2-yl)methanone
  • 2-[3-(4-Methoxyphenyl)-5-isoxazolyl]-4,6-dimethylthieno[2,3-b]pyridin-3-amine
  • 6-(3,4-dimethoxyphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
  • 1,3-benzodioxol-5-ylmethyl (2S,6S)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
  • 4-(4-hydroxyphenyl)-6-(2-methoxyethyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
  • 7-(2-hydroxypropyl)-3-methyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione