CAS 3144-09-0 Methanesulfonamide (HCID 72879)

Names & identifiers

Preferred name: Methanesulfonamide
IUPAC: methanesulfonamide
English name: Methanesulfonamide
Molecular formula: CH5NO2S
Molecular weight: 95.12

Names & synonyms

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

Show more names

METHYL SULFONAMIDEMethanesulfonic amideMesyl amideMETHYLSULFAMIDEMethanesulfonaMidA sulfonaMideMethylsulfonamidMethanesulfomide

mesylamineMFCD00007940methansulfonamidmethansulfonamidemethansulphonamidemethyl-sulfonamidemethyl sulphonamidemethansulphonic acid amide

Database identifiers

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

Properties

Computed structural properties

XLogP: -1.1
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

Physicochemical properties

Melting point: 85 · 85-89 °C(lit.)
Boiling point: 208.2 · 208.2±23.0 °C(Predicted)
Density: 1.229 · 1.229 (estimate)
refractive index: 1.513 · 1.5130 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Slightly soluble in DMSO and methanol.
pka: 10.87 · 10.87±0.60(Predicted)
form: Crystals, Powder or Flakes
color: 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 DataBase Reference: 3144 · 3144-09-0(CAS DataBase Reference)
FDA UNII: 98 YB2P6NHR · 98YB2P6NHR
NIST Chemistry Reference: Methane sulfonamide(3144-09-0)
EPA Substance Registry System: Methanesulfonamide (3144-09-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29350090 · 29350090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (98.3%)

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
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-24/25
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanesulfonamide: ACTIVE

Applications · 2 items

UsesMethanesulfonamide 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.

UsesMethanesulfonamide is used in the synthesis of important organic reagents such as N-(2-methylthio-1-p-toluenesufonyl)methanesulfonamide and tert-butyl ((2-(trimethylsilyl)ethyl)sulfonyl)carbamate.It can be used as a source of nitrogen in the conversion of carboxylic acids to corresponding nitriles.It is widely used as a reagent in the synthesis of medicinally important compounds such as derivatives of indole-N-acetamide, methanesulfonamide pyrimidine-substituted 3,5-dihydroxy-6-heptenoates and repertaxin.