Grundinformationen
- Standard-SMILES
NS(=O)(=O)c1ccc(Cl)cc1- InChIKey
HHHDJHHNEURCNV-UHFFFAOYSA-N- Summenformel
- C6H6ClNO2S
- Durchschnittliche Molmasse
- 191,64 g/mol
- Monoisotopische Masse
- 190,9807773
Namen und Bezeichner
- Bevorzugter Name
- 4-Chlorobenzenesulfonamide
- IUPAC
- 4-chlorobenzenesulfonamide
- Lokaler Name
- 4-Chlorbenzolsulfonamid
- Englischer Name
- 4-Chlorobenzenesulfonamide
- Summenformel
- C6H6ClNO2S
- Molmasse
- 191.64
Namen und Synonyme
4-Chlorobenzenesulfonamide98-64-6Benzenesulfonamide, 4-chloro-4-ChlorobenzenesulphonamideDTXSID6052661RefChem:521942DTXCID3031234202-689-5p-Chlorobenzenesulfonamide4-Chlorophenylsulfonamide4-chlorobenzene-1-sulfonamidep-Chlorobenzenesulfamide
Weitere Namen anzeigen
PCBSPara Chloro Benzene sulfonyl Chlorideadd55051usafma-3NSC 9913p-ChlorobenzenesulfonCelecoxib Impurity 67
p-ChlorophenylsulfonamideBenzenesulfonamide, p-chloro-USAF MA-34-Chloro-benzenesulfonamideADD 55051MFCD00007936NSC 403674CHEMBL804
Datenbank-Bezeichner
- CAS
98-64-6- PubChem CID
- 66824
- DTXSID
DTXSID6052661- ChEMBL
CHEMBL804- ChEBI
CHEBI:143298- EC Number
- 202-689-5
- Nikkaji
- J3.985C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 68,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 213
Experimentelle und physikochemische Eigenschaften
Collision Cross Section134.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6052661]
Physikochemische Eigenschaften
- Schmelzpunkt
- 140 · 140-144 °C (lit.)
- Siedepunkt
- 342.2 · 342.2±44.0 °C(Predicted)
- Dichte
- 1.408 · 1.408 (estimate)
- Brechungsindex
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 9.89 · 9.89±0.10(Predicted)
- Aggregatzustand
- Powder
- Farbe
- White
- Wasserlöslichkeit
- 1.322 g/L · 1.322g/L(15 ºC)
- BRN
- 1308891 · 1308891
- InChI
- InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
- InChIKey
- HHHDJHHNEURCNV-UHFFFAOYSA-N
- SMILES
- C1(S(N)(=O)=O)=CC=C(Cl)C=C1
- CAS Datenbank
- 98 · 98-64-6(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Benzenesulfonamide, 4-chloro-(98-64-6)
- EPA chemische Informationen
- 4 · Benzenesulfonamide, 4-chloro- (98-64-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.
Warning
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 49 reports by companies.；There are 6 notifications provided by 48 of 49 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory InformationChemical: Benzenesulfonamide, 4-chloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2 (98%)；STOT SE 3 (95.9%)
Regulatorische Informationen
Regulatory InformationChemical: Benzenesulfonamide, 4-chloro-
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29350090
- RTECS-Nr.
- DB1400000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsKidney；Liver
Cellular LocationsCytoplasm
Verwendung und Herstellung
General Manufacturing InformationBenzenesulfonamide, 4-chloro-: INACTIVE
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