2,2,2-Trifluoroacetophenone (HCID 9905)

概要

converted to trifluoroacetic acid in water

名称と識別子

優先名称: 2,2,2-Trifluoroacetophenone
IUPAC: 2,2,2-trifluoro-1-phenylethanone
現地名: 2,2,2-トリフルオロアセトフェノン
英語名: Trifluoroacetophenone
分子式: C8H5F3O
分子量: 174.12

名称と別名

2,2,2-TRIFLUOROACETOPHENONE434-45-72,2,2-Trifluoro-1-phenylethanoneTrifluoromethyl phenyl ketonealpha,alpha,alpha-TrifluoroacetophenoneEthanone, 2,2,2-trifluoro-1-phenyl-Phenyl trifluoromethyl ketone1,1,1-Trifluoroacetophenone(Trifluoroacetyl)benzeneAcetophenone, 2,2,2-trifluoro-NSC 427526T7L1UPY09

名称をさらに表示

2,2,2-トリフルオロアセトフェノンフェニル(トリフルオロメチル)ケトン1-フェニル-2,2,2-トリフルオロエタノン(トリフルオロアセチル)ベンゼンω,ω,ω-トリフルオロアセトフェノントリフルオロアセチルベンゼン2,2,2-トリフルオロ-1-フェニルエタノン(トリフルオロメチル)フェニルケトンα,α,α-トリフルオロアセトフェノンα,α,α-トリフルオロ-アセトフェノントリフルオロメチルフェニルケトンΑ,Α,Α‐トリフルオロアセトフェノン2,2,2-TRIFLUORO-1-PHENYLETHAN-1-ONEA,A,A-TRIFLUOROACETOPHENONETRIFLUOROACETOPHENONETRIFLUOROACETYLBENZENE2,2,2-Trifluoracetophenon

phenyltrifluoromethylketoneEINECS 207-103-1NSC-42752DTXSID6059992.alpha.,.alpha.,.alpha.-Trifluoroacetophenone.omega.,.omega.,.omega.-Trifluoroacetophenone2,2,2-TRIFLUORO-1-PHENYL-1-ETHANONEomega,omega,omega-Trifluoroacetophenone

データベース識別子

CAS: 434-45-7
PubChem CID: 9905
DTXSID: DTXSID6059992
ChEMBL: CHEMBL293277
UNII: 6T7L1UPY09
EC Number: 207-103-1
Nikkaji: J150.547E

物性

構造計算による物性

XLogP: 2.1
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 168

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Tear Gas Agents

SpringerMaterials PropertiesBoiling point

LogP2.15

Vapor Pressure1.22 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -40 °C · -40 °C
沸点: 165 · 165-166 °C (lit.) 46-48 °C/14 mmHg (lit.)
比重(密度): 1.24 g/mL · 1.24 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.458(lit.)
闪点: 107 °F · 107 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、酢酸エチル
外見: 液体
比重: 1.24 · 1.240
色: 無色透明～黄色
水溶解度: 実質的に不溶
BRN: 1866286 · 1866286
InChI: 1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
InChIKey: KZJRKRQSDZGHEC-UHFFFAOYSA-N
SMILES: FC(F)(F)C(=O)c1ccccc1
CAS データベース: 434 · 434-45-7(CAS DataBase Reference)
NISTの化学物質情報: 2 · Ethanone, 2,2,2-trifluoro-1-phenyl-(434-45-7)
EPAの化学物質情報: 2 · Ethanone, 2,2,2-trifluoro-1-phenyl- (434-45-7)

化学的性質

化学的特性CLEAR COLORLESS TO YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 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 Information2,2,2-Trifluoroacetophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant and lachrymator; [Alfa Aesar MSDS] See alpha-Chloroacetophenone.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

毒性情報

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1224 3/PG 3
hs_code: 29147090
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi,F
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36-37/39-16
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationEthanone, 2,2,2-trifluoro-1-phenyl-: ACTIVE

応用分野 · 1 件

一般的な説明2,2,2-Trifluoroacetophenone is the starting material for the synthesis of f 3-trifluoromethyl-3-phenyldiazirine. It undergoes asymmetric reduction with optically active Grignard reagent to form 2,2,2-trifluoro-1-phenylethanol. It undergoes condensation with biphenyl, terphenyl, a mixture of biphenyl with terphenyl, phenyl ether and diphenoxybenzophenone to form new aromatic 3F polymers.