N,N-ジメチルメタンスルホンアミド

N,N-Dimethylmethanesulphonamide

HCID 70191CAS 918-05-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)S(C)(=O)=O
InChIKey: WCFDSGHAIGTEKL-UHFFFAOYSA-N
分子式: C3H9NO2S
平均分子量: 123.18 g/mol
単同位体質量: 123.0353997

名称と識別子

優先名称: N,N-Dimethylmethanesulphonamide
IUPAC: N,N-dimethylmethanesulfonamide
現地名: N,N-ジメチルメタンスルホンアミド
英語名: N,N-Dimethyl methanesulfonamide
分子式: C3H9NO2S
分子量: 123.17

名称と別名

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

名称をさらに表示

N,N-ジメチルメタンスルホンアミド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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.5
極性表面積: 45.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 130

物理化学的性質

融点: 49 °C · 49 °C
沸点: 119 · 119-120°C 17mm
比重(密度): 1.158 · 1.158±0.06 g/cm3(Predicted)
闪点: 119 · 119-120°C/17mm
酸解離定数(Pka): -3.35 · -3.35±0.70(Predicted)
BRN: 1747409 · 1747409
CAS データベース: 918 · 918-05-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

hazard_code: T
hazard_class: TOXIC

化学と産業

応用分野 · 1 件

使用Alkyl 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.