N,N-Dimethylmethanesulphonamide

HCID 70191

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Basic information

CAS: 918-05-8
Standard SMILES: CN(C)S(C)(=O)=O
InChIKey: WCFDSGHAIGTEKL-UHFFFAOYSA-N
Molecular formula: C3H9NO2S
Average molar mass: 123.18 g/mol
Monoisotopic mass: 123.0353997

Names & identifiers

Preferred name: N,N-Dimethylmethanesulphonamide
IUPAC: N,N-dimethylmethanesulfonamide
English name: N,N-Dimethyl methanesulfonamide
Molecular formula: C3H9NO2S
Molecular weight: 123.17

Names & synonyms

N,N-Dimethylmethanesulfonamide918-05-8N,N-DimethylmethanesulphonamideEINECS 213-039-5WCFDSGHAIGTEKL-UHFFFAOYSA-DTXSID90238698NSC 66043RefChem:822616DTXCID40161189213-039-5InChI=1/C3H9NO2S/c1-4(2)7(3,5)6/h1-3H3N,N-Dimethyl methanesulfonamide

Show more names

TIMTEC-BB SBB007962N,N-Dimethyl methanesulfonamide, 98+%1-(6-methyl-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol

Methanesulfonamide, N,N-dimethyl-MFCD00014740N,N-dimethyl-methanesulfonamideNSC-66043NSC660437TV7PK2KDAn-dimethylmethanesulfonamidedimethyl(methylsulfonyl)amine

Database identifiers

CAS: 918-05-8
PubChem CID: 70191
DTXSID: DTXSID90238698
UNII: 7TV7PK2KDA
EC Number: 213-039-5
Nikkaji: J101.120K

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 49 °C · 49 °C
Boiling point: 119 · 119-120°C 17mm
Density: 1.158 · 1.158±0.06 g/cm3(Predicted)
Flash point: 119 · 119-120°C/17mm
pka: -3.35 · -3.35±0.70(Predicted)
BRN: 1747409 · 1747409
CAS DataBase Reference: 918 · 918-05-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: T
HazardClass: TOXIC

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.6%): 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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
hazard_class: TOXIC
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesAlkyl phenyl sulfones and N, N-dimethyl methanesulfonamide are rapidly converted into their 1,1-dilithio salts on reaction with n-butyllithium in THF—hexane. The nature of these new organometallic species was confirmed by deuteration and condensation with benzaldehyde.