Methansulfonamid

Methanesulfonamide

HCID 72879CAS 3144-09-0

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Grundinformationen

Standard-SMILES: CS(N)(=O)=O
InChIKey: HNQIVZYLYMDVSB-UHFFFAOYSA-N
Summenformel: CH5NO2S
Durchschnittliche Molmasse: 95,12 g/mol
Monoisotopische Masse: 95,0040994

Namen und Bezeichner

Bevorzugter Name: Methanesulfonamide
IUPAC: methanesulfonamide
Lokaler Name: Methansulfonamid
Englischer Name: Methanesulfonamide
Summenformel: CH5NO2S
Molmasse: 95.12

Namen und Synonyme

Methanesulfonamide3144-09-0MethylsulfonamideMethanesulphonamide98YB2P6NHRDTXSID3062865NSC-271RefChem:156921DTXCID7038363221-553-6Methane sulfonamideCH5NO2S

Weitere Namen anzeigen

METHYL SULFONAMIDEMethanesulfonic amideMesyl amideMETHYLSULFAMIDEMethanesulfonaMidA sulfonaMideMethylsulfonamidMethanesulfomide

mesylamineMFCD00007940methansulfonamidmethansulfonamidemethansulphonamidemethyl-sulfonamidemethyl sulphonamidemethansulphonic acid amide

Datenbank-Bezeichner

CAS: 3144-09-0
PubChem CID: 72879
DTXSID: DTXSID3062865
ChEMBL: CHEMBL305268
UNII: 98YB2P6NHR
EC Number: 221-553-6
Nikkaji: J208.740E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,1
Polarare Oberfläche (TPSA): 68,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 95,3

Physikochemische Eigenschaften

Schmelzpunkt: 85 · 85-89 °C(lit.)
Siedepunkt: 208.2 · 208.2±23.0 °C(Predicted)
Dichte: 1.229 · 1.229 (estimate)
Brechungsindex: 1.513 · 1.5130 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Slightly soluble in DMSO and methanol.
pka: 10.87 · 10.87±0.60(Predicted)
Aggregatzustand: Crystals, Powder or Flakes
Farbe: White to yellow
BRN: 1740835 · 1740835
InChI: InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)
InChIKey: HNQIVZYLYMDVSB-UHFFFAOYSA-N
SMILES: CS(N)(=O)=O
CAS Datenbank: 3144 · 3144-09-0(CAS DataBase Reference)
NIST chemische Informationen: Methane sulfonamide(3144-09-0)
EPA chemische Informationen: Methanesulfonamide (3144-09-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98.3%): 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 59 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (98.3%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29350090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationMethanesulfonamide: ACTIVE

Anwendungen · 1 Eintrag

VerwendenMethanesulfonamide will react with thionyl chloride, cyanates, carbon disulfide and ketones and aldehydes to prepare pharmaceuticals, brightening agent and other target molecules. It is also used in biological studies to predict binding affinity and binding mode of protein ligand complexes.