Ethanamine, 2,2,2-trifluoro- (HCID 9773)

名称と識別子

優先名称: Ethanamine, 2,2,2-trifluoro-
IUPAC: 2,2,2-trifluoroethanamine
現地名: 2,2,2-トリフルオロエチルアミン
英語名: 2,2,2-Trifluoroethylamine
分子式: C2H4F3N
分子量: 99.06

名称と別名

2,2,2-Trifluoroethylamine753-90-2Ethanamine, 2,2,2-trifluoro-ETHYLAMINE, 2,2,2-TRIFLUORO-EINECS 212-041-3BRN 1733204DTXSID60610704-04-00-00442 (Beilstein Handbook Reference)RefChem:591372DTXCID3047768212-041-32,2,2-Trifluoroethanamine

名称をさらに表示

2,2,2-トリフルオロエチルアミン2,2,2-トリフルオロエタンアミン(2,2,2-トリフルオロエチル)アミン2,2,2-トリフルオロエタン-1-アミン2,2,2‐トリフルオロエチルアミンCF3CH2NH2Trifluoroethylamine2,2,2-trifluoro-ethanaminTrifluororthylamineAURORA KA-7828RARECHEM AL BW 04512,2,2-Trifluoroamine

2,2,2-trifluoroethan-1-amine2-Amino-1,1,1-trifluoroethaneMFCD00008132C2H4F3N2,2,2-trifluoro-1-aminoethaneethane, 1-amino-2,2,2-trifluoro-2,2,2-trifluoroethyl amine(2,2,2-trifluoroethyl)amine

データベース識別子

CAS: 753-90-2
PubChem CID: 9773
DTXSID: DTXSID6061070
ChEMBL: CHEMBL1162282
UNII: 44H2STW5P2
EC Number: 212-041-3
Nikkaji: J150.065A

物性

構造計算による物性

XLogP: 0.2
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 38.5

実験および物理化学的性質

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

SpringerMaterials PropertiesSchoenflies notation

LogP0.24

Dissociation Constants5.7

物理化学的性質

沸点: 36 · 36-37 °C(lit.)
比重(密度): 1.262 g/mL · 1.262 g/mL at 20 °C(lit.)
蒸気圧: 7.6 psi · ~7.6 psi ( 20 °C)
屈折率: 20 · n20/D 1.301(lit.)
闪点: 2 °F · 2 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
酸解離定数(Pka): 5.47 · 5.47±0.30(Predicted)
比重: 1.245 · 1.245
色: 無色透明
BRN: 1733204 · 1733204
InChI: InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2
InChIKey: KIPSRYDSZQRPEA-UHFFFAOYSA-N
SMILES: C(N)C(F)(F)F
CAS データベース: 753 · 753-90-2(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,2,2-Trifluoroethylamine(753-90-2)
EPAの化学物質情報: 2 · Ethanamine, 2,2,2-trifluoro- (753-90-2)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 9 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: 01-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24346

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

F: 3-10-13
wgk: 3
tsca: TSCA listed
rtecs: KS0175000
ridadr: UN 2733 3/PG 2
毒性: LC50 ihl-mus: 4170 mg/m3/2H 85JCAE -,606,86
hs_code: 29211990
risk_code: 11-34-52/53-22
消防法: 危-4-1-II
hazard_code: F,C,T,Xi
hazard_note: Corrosive/Toxic/Flammable
safety_code: 26-36/37/39-45-25-16-61
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Flam. Liq. 2Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationEthanamine, 2,2,2-trifluoro-: ACTIVE

応用分野

使用2,2,2-Trifluoroethylamine was used in the determination of ibuprofen (2-(p-isobutylphenyl)propionic acid), a non-steroid anti-inflammatory drug (NSAID) residue in surface and wastewater samples.

一般的な説明2,2,2-Trifluoroethylamine, a volatile organic compound, was tested using corona discharge ion mobility spectrometry with orthogonal acceleration time of flight mass spectrometry (CD IMS-oaTOF).