Chlorosulfamic acid

HCID 24499

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 7778-42-9
Standard SMILES: NS(=O)(=O)Cl
InChIKey: QAHVHSLSRLSVGS-UHFFFAOYSA-N
Molecular formula: ClH2NO2S
Average molar mass: 115.54 g/mol
Monoisotopic mass: 114.94947698

Names & identifiers

Preferred name: Chlorosulfamic acid
IUPAC: sulfamoyl chloride
English name: Sulfamoyl Chloride
Molecular formula: ClH2NO2S
Molecular weight: 115.54

Names & synonyms

Sulfamoyl chloride7778-42-965MMZ8TWQ5NSC 158265NSC-158265RefChem:575956805-900-4CHLOROSULFAMIC ACIDCHLOROSULFONAMIDEAminosulfonyl chlorideAmidosulfonyl chlorideSulfamyl chloride

Show more names

Sulfamideoic chlorideSulfamic acid chlorideAprocitentan Impurity 59

MFCD11519990Chloroimidosulfuric acidClH2NO2SAmidosulfonic Acid ChlorideUNII-65MMZ8TWQ5sulfamic chloridechlorosulfonarnideSulphamoyl chloride

Database identifiers

CAS: 7778-42-9
PubChem CID: 24499
DTXSID: DTXSID30228396
UNII: 65MMZ8TWQ5
EC Number: 805-900-4
Nikkaji: J283.218F

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 95.3

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 40 · 40-41℃
Boiling point: 100 · 100-105 °C(Press: 4 Torr)
Density: 1.787 · 1.787
storage temp.: -20 °C, · -20°C, protect from light, stored under nitrogen
solubility: Chloroform (Slightly), DMSO (Slightly)
form: solid
pka: 6.82 · 6.82±0.60(Predicted)
color: Off White
Stability: Hygroscopic, Moisture sensitive
InChI: InChI=1S/ClH2NO2S/c1-5(2,3)4/h(H2,2,3,4)
InChIKey: QAHVHSLSRLSVGS-UHFFFAOYSA-N
SMILES: S(Cl)(N)(=O)=O
FDA UNII: 65 MMZ8TWQ5 · 65MMZ8TWQ5
EPA Substance Registry System: Sulfamoyl chloride (7778-42-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
RIDADR: 3261 · UN3261
HazardClass: 8 · 8
HS Code: 2935909099 · 2935909099
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesMet. Corr. 1 (50%)

Safety data

ridadr: UN3261
hs_code: 2935909099
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: 8
Hazard statements: H315-H319-H335
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501