4-Chlorobenzenesulfonamide
Basic information
- CAS
98-64-6- Standard SMILES
NS(=O)(=O)c1ccc(Cl)cc1- InChIKey
HHHDJHHNEURCNV-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO2S
- Average molar mass
- 191.64 g/mol
- Monoisotopic mass
- 190.9807773
Overview
4-chlorobenzenesulfonamide is a sulfonamide.
Names & identifiers
- Preferred name
- 4-Chlorobenzenesulfonamide
- IUPAC
- 4-chlorobenzenesulfonamide
- English name
- 4-Chlorobenzenesulfonamide
- Molecular formula
- C6H6ClNO2S
- Molecular weight
- 191.64
Names & synonyms
4-Chlorobenzenesulfonamide98-64-6Benzenesulfonamide, 4-chloro-4-ChlorobenzenesulphonamideDTXSID6052661RefChem:521942DTXCID3031234202-689-5p-Chlorobenzenesulfonamide4-Chlorophenylsulfonamide4-chlorobenzene-1-sulfonamidep-Chlorobenzenesulfamide
Show more names
PCBSPara Chloro Benzene sulfonyl Chlorideadd55051usafma-3NSC 9913p-ChlorobenzenesulfonCelecoxib Impurity 67
p-ChlorophenylsulfonamideBenzenesulfonamide, p-chloro-USAF MA-3ADD 550514-Chloro-benzenesulfonamideMFCD00007936NSC 403674CHEMBL804
Database identifiers
- CAS
98-64-6- PubChem CID
- 66824
- DTXSID
DTXSID6052661- ChEMBL
CHEMBL804- ChEBI
CHEBI:143298- EC Number
- 202-689-5
- Nikkaji
- J3.985C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
LogP1.24
Collision Cross Section134.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6052661]
Physicochemical properties
- Melting point
- 140 · 140-144 °C (lit.)
- Boiling point
- 342.2 · 342.2±44.0 °C(Predicted)
- Density
- 1.408 · 1.408 (estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 9.89 · 9.89±0.10(Predicted)
- form
- Powder
- color
- White
- Water Solubility
- 1.322 g/L · 1.322g/L(15 ºC)
- BRN
- 1308891 · 1308891
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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]
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.
Hazard information
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%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DB1400000
- hs_code
- 29350090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Storage Class
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 4-chloro-: INACTIVE
Applications
UsesAnticonvulsant against audiogenic convulsion.
Upstream & downstream products
Upstream raw materials
Related reactions
113 records
Compound notes
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