4-Sulfamoylbenzene-1-sulfonyl chloride

HCID 10956159CAS 46249-41-6

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Basic information

Standard SMILES: NS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIKey: LLFQHNCOIPUFIJ-UHFFFAOYSA-N
Molecular formula: C6H6ClNO4S2
Average molar mass: 255.7 g/mol
Monoisotopic mass: 254.94267735

Names & identifiers

Preferred name: 4-Sulfamoylbenzene-1-sulfonyl chloride
IUPAC: 4-sulfamoylbenzenesulfonyl chloride
English name: 4-(Aminosulfonyl)benzenesulfonyl chloride
Molecular formula: C6H6ClNO4S2
Molecular weight: 255.7

Names & synonyms

4-Sulfamoylbenzene-1-sulfonyl chlorideRefChem:526717816-065-046249-41-64-(aminosulfonyl)benzenesulfonyl chloride4-sulfamoylbenzenesulfonyl ChlorideMFCD07352256Benzenesulfonylchloride, 4-(aminosulfonyl)-Benzenesulfonyl chloride, 4-(aminosulfonyl)-4-sulfamoylbenzenesulphonyl chloride4-Sulfamoyl-benzenesulfonyl chlorideSCHEMBL2367293

Show more names

DTXSID104497644-Sulfamoylbenzene-1-sulfonylchlorideAKOS000118393BS-13915SY152275CS-0072200EN300-14899E80973

Database identifiers

CAS: 46249-41-6
PubChem CID: 10956159
DTXSID: DTXSID10449764
EC Number: 816-065-0

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 111 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 383

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
Appearance: Off-white to light yellow Solid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501