2-Chlorobenzenesulfonamide

HCID 81410CAS 6961-82-6
Substructure searchFind similar structures

Basic information

Standard SMILES
NS(=O)(=O)c1ccccc1Cl
InChIKey
JCCBZCMSYUSCFM-UHFFFAOYSA-N
Molecular formula
C6H6ClNO2S
Average molar mass
191.64 g/mol
Monoisotopic mass
190.98077711

Names & identifiers

Preferred name
2-Chlorobenzenesulfonamide
IUPAC
2-chlorobenzenesulfonamide
English name
o-Chlorobenzenesulfonamide
Molecular formula
C6H6ClNO2S
Molecular weight
191.64

Names & synonyms

2-Chlorobenzenesulfonamide6961-82-6o-ChlorobenzenesulfonamideBenzenesulfonamide, o-chloro-DTXSID20449794BT2I28A0CNSC-62927DTXCID0024979A-4097RefChem:86451230-156-72-chlorobenzene-1-sulfonamide
Show more names
orobenzenesuLBUTTPARK 37\11-77o-ChlorobenzenesulfoVenetoclax Impurity 602-CHLOROBEZENESULFONAMIDEP-CHLOROBENZENE SUFONAMIDE2-chloro-benzenedulfonamido-chlorobenzenesulphonamide
Benzenesulfonamide, 2-chloro-2-CHLOROBENZENESULPHONAMIDEMFCD000519742-Chloro-benzenesulfonamide2-chlorophenylsulfonamideNSC 629272-chlorobenzene sulphonamide12002-50-5

Database identifiers

CAS
6961-82-6
PubChem CID
81410
DTXSID
DTXSID2044979
ChEMBL
CHEMBL367983
UNII
4BT2I28A0C
EC Number
230-156-7
Nikkaji
J266.003B

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
68.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

LogP0.79
Collision Cross Section133.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2044979]

Physicochemical properties

Melting point
189 · 189-193 °C(lit.)
Boiling point
352.9 · 352.9±44.0 °C(Predicted)
Density
1.408 · 1.408 (estimate)
refractive index
1.6 · 1.6000 (estimate)
storage temp.
Refrigerator
solubility
DMSO (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (32.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (32.3%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29350090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonamide, 2-chloro-: ACTIVE
Applications · 2 items

Uses2-Chlorobenzenesulfonamide may be used in the synthesis of 2-chloro-N-(4-methoxybenzoyl)benzenesulfonamide and 1,2,4-thiadiazine ,1-dioxides.

General Description2-Chlorobenzenesulfonamide is a halogenated sulfonamide derivative. It is formed as one of the major degradation product of chlorosulfuron. Crystals of 2-chlorobenzenesulfonamide exhibit monoclinic space group Cc. Its molecules are linked by N1—H11···O1 and N1—H12···O2 hydrogen bonding to form an infinite 3-D molecular network.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Related reactions

43 records
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Linked notes

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