Trifluoromethylsulfonamide

HCID 79001CAS 421-85-2

部分構造検索類似構造を探す

基本情報

標準SMILES: NS(=O)(=O)C(F)(F)F
InChIKey: KAKQVSNHTBLJCH-UHFFFAOYSA-N
分子式: CH2F3NO2S
平均分子量: 149.09 g/mol

概要

RN given refers to parent

名称と識別子

優先名称: Trifluoromethylsulfonamide
IUPAC: trifluoromethanesulfonamide

名称と別名

Trifluoromethanesulfonamide421-85-2Trifluoromethylsulfonamide1,1,1-trifluoromethanesulfonamideTrifluoromethyl sulfonamideMethanesulfonamide, 1,1,1-trifluoro-DTXSID10194944RefChem:899604DTXCID50117435627-705-1trifluoromethanesulphonamideTRIFLUOROMETHANE SULFONAMIDE

名称をさらに表示

CH2F3NO2SMFCD00068714CHEMBL67511Triflamide1bcd1,1,1-Trifluoromethanesulfonamide; Trifluoromethanesulfonamidetriflimidic acidtrifluorometanesulfonamide

データベース識別子

CAS: 421-85-2
PubChem CID: 79001
DTXSID: DTXSID10194944
ChEMBL: CHEMBL67511
EC Number: 431-270-1、627-705-1
Nikkaji: J261.100G

物性

構造計算による物性

XLogP: 0.1
極性表面積: 68.5 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 161

実験および物理化学的性質

Chemical Classes · 2 件

Ionic Liquids

Ionic Liquids -> Fluorinated Ionic Liquids

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (92.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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 65 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]