2,2-ジフルオロエチルアミン

2,2-Difluoroethanamine

HCID 136274CAS 430-67-1

部分構造検索類似構造を探す

基本情報

標準SMILES: NCC(F)F
InChIKey: OVRWUZYZECPJOB-UHFFFAOYSA-N
分子式: C2H5F2N
平均分子量: 81.06 g/mol
単同位体質量: 81.0390056

名称と識別子

優先名称: 2,2-Difluoroethanamine
IUPAC: 2,2-difluoroethanamine
現地名: 2,2-ジフルオロエチルアミン
英語名: 2,2-Difluoroethylamine
分子式: C2H5F2N
分子量: 81.06

名称と別名

2,2-difluoroethanamineEthanamine, 2,2-difluoro-RefChem:441152671-709-62,2-Difluoroethylamine430-67-12,2-difluoroethan-1-amineEthylamine, 2,2-difluoro-MFCD007981372,2-difluoro-ethylamineCF2HCH2NH22,2-difluoroethane-1-amine

名称をさらに表示

2,2-ジフルオロエチルアミンuoroethyLAKOS B0285612,2-DifluoroamineART-CHEM-BB B028561TIMTEC-BB SBB0098312,3-Difluoroethylamine

C2H5F2NdifluoroethylamineEthanamine,2,2-difluoro- (9CI)2,2-difluorethylamine2,2,-difluorethylamine2,2-difluorethyl amineLR6CDA8ZPD2,2-difluoro-ethanamine

データベース識別子

CAS: 430-67-1
PubChem CID: 136274
DTXSID: DTXSID40195621
ChEMBL: CHEMBL1162281
UNII: LR6CDA8ZPD
EC Number: 671-709-6
Nikkaji: J2.514.066D

物性

構造計算による物性

XLogP: 0.1
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 5
形式電荷: 0
複雑度: 21.6

実験および物理化学的性質

SpringerMaterials PropertiesCoriolis coupling

Dissociation Constants7.3

物理化学的性質

沸点: 67.5 · 67.5-68.5
比重(密度): 1 · 1,15 g/cm3
蒸気圧: 14 · 14-56kPa at 20-50℃
屈折率: 1.341 · 1.3410-1.3450
酸解離定数(Pka): 7.09 · 7.09±0.30(Predicted)
外見: clear liquid
色: Colorless to Yellow
InChI: InChI=1S/C2H5F2N/c3-2(4)1-5/h2H,1,5H2
InChIKey: OVRWUZYZECPJOB-UHFFFAOYSA-N
SMILES: C(N)C(F)F
CAS データベース: 430 · 430-67-1(CAS DataBase Reference)

化学的性質

化学的特性Liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H290 (52.6%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 08-12-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/5753

Hazard Classes and CategoriesMet. Corr. 1 (52.6%)

安全データ

wgk: WGK 3
ridadr: 2735
hs_code: 29211990
risk_code: 34-36/37
消防法: 危-4-1-II
hazard_code: C,Xi
safety_code: 26-36/37/39-24/25
hazard_class: IRRITANT
packing_group: II
Hazard Classifications: Eye Irrit. 2Met. Corr. 1STOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 1 件

使用2,2-Difluoroethylamine (DFEA) is an ESI-compatible buffering reagent whose conjugate acid has a pKa of 7.2, providing buffering capacity at physiological pH[1]. 2,2-Difluoroethylamine serves as a nucleophile in Ni-catalyzed C–N cross-couplings with aryl electrophiles, including N-arylation of fluoroalkylamines and competition studies against other heteroatom-containing nucleophiles[2].