2-Amino-4-chlorobenzenesulphonamide

HCID 77790

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Basic information

CAS: 4140-83-4
Standard SMILES: Nc1cc(Cl)ccc1S(N)(=O)=O
InChIKey: HWQDHHCUOZZFIG-UHFFFAOYSA-N
Molecular formula: C6H7ClN2O2S
Average molar mass: 206.65 g/mol
Monoisotopic mass: 205.9916763

Names & identifiers

Preferred name: 2-Amino-4-chlorobenzenesulphonamide
IUPAC: 2-amino-4-chlorobenzenesulfonamide
English name: 2-amino-4-chlorobenzenesulphonamide
Molecular formula: C6H7ClN2O2S
Molecular weight: 206.65

Names & synonyms

2-Amino-4-chlorobenzenesulphonamideEINECS 223-965-1DTXSID20194334NSC 25856RefChem:464271DTXCID30116825223-965-12-Amino-4-chlorobenzenesulfonamide4140-83-42-amino-4-chlorobenzene-1-sulfonamideHydrochlorothiazide Impurity 162-amino-4-chloro-benzenesulfonamide

Show more names

Diazoxide Impurity 12

NSC-25856Benzenesulfonamide, 2-amino-4-chloro-NSC258568WK5K8NS88CHEMBL506160Hydrochlorothiazide Impurity N8SCHEMBL14633524-chloro-2-aminobenzenesulfonamide

Database identifiers

CAS: 4140-83-4
PubChem CID: 77790
DTXSID: DTXSID20194334
ChEMBL: CHEMBL506160
UNII: 8WK5K8NS88
EC Number: 223-965-1
Nikkaji: J224.945F

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 94.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 249

Physicochemical properties

Melting point: 144 · 144-146 °C
Boiling point: 420 · 420.0±55.0 °C(Predicted)
Density: 1.558 · 1.558±0.06 g/cm3(Predicted)
pka: 10.1 · 10.10±0.60(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H335-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Uses2-Amino-4-chlorobenzene-1-sulfonamide is used in the preparation of 5'-alkyl-benzothiadiazides, used as allosteric modulators of AMPA/Kainate receptor.