トリフルオロ酢酸無水物

Trifluoroacetic anhydride

HCID 9845CAS 407-25-0
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(OC(=O)C(F)(F)F)C(F)(F)F
InChIKey
QAEDZJGFFMLHHQ-UHFFFAOYSA-N
分子式
C4F6O3
平均分子量
210.03 g/mol
単同位体質量
209.97516318

名称と識別子

優先名称
Trifluoroacetic anhydride
IUPAC
(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
現地名
トリフルオロ酢酸無水物
英語名
Trifluoroacetic anhydride
分子式
C4F6O3
分子量
210.03

名称と別名

TRIFLUOROACETIC ANHYDRIDE407-25-0Trifluoroacetic acid anhydrideBis(trifluoroacetic) anhydridePerfluoroacetic anhydrideTrifluoroacetyl anhydrideHexafluoroacetic anhydrideAnhydrid kyseliny trifluoroctove5ENA87IZHTNSC-96965DTXSID90861920RefChem:899576
名称をさらに表示
トリフルオロ酢酸無水物ビス(トリフルオロ酢酸)無水物ビス(2,2,2-トリフルオロ酢酸)無水物トリフルオロアセチルトリフルオロアセタート二(トリフルオロ酢酸)無水物無水トリフルオロ酢酸ジ(トリフルオロ酢酸)無水物トリフルオロ酢酸水物無水トリフロロ酢酸無水トリフルオロ酢酸, 99+%トリフルオル無水酢酸, min. 98%trifluoroaceticTRIFLUORACETIC ANHYDRIDETIFLUOROACETIC ANHYDRIDETrifluoroacetic anhyTrifluoroacetic anhydride 10g [407-25-0]uoroacetic anhydridetrimethylamine (TMA)
DTXCID90810771206-982-9TFAA2,2,2-trifluoroacetic anhydrideAcetic acid, trifluoro-, anhydridetrifluoro acetic anhydride(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate2,2,2-trifluoroacetyl 2,2,2-trifluoroacetate

データベース識別子

CAS
407-25-0
PubChem CID
9845
DTXSID
DTXSID90861920
UNII
5ENA87IZHT
EC Number
206-982-9
Nikkaji
J5.723A

物性

構造計算による物性

XLogP
2.1
極性表面積
43.4 Ų
水素結合供与体数
0
水素結合受容体数
9
回転可能結合数
2
重原子数
13

実験および物理化学的性質

Chemical ClassesOther Classes -> Acid Anhydrides, Other
PFAS · 2 件

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

PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

SpringerMaterials PropertiesSchoenflies notation
Density1.49 @25 °C
Boiling Point39.5 °C @760 [mm Hg]
Vapor Pressure41.2 [mmHg]

物理化学的性質

融点
-65 °C · -65 °C (lit.)
沸点
39.5 · 39.5-40 °C (lit.)
比重(密度)
1.511 g/mL · 1.511 g/mL at 20 °C (lit.)
蒸気圧
6.28 psi · 6.28 psi ( 20 °C)
屈折率
20 · n20/D 1.3(lit.)
闪点
-26 °C · -26 °C

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

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P203, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 114 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Acetic acid, trifluoro-, anhydride

Acetic acid, 2,2,2-trifluoro-, 1,1'-anhydride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2,2,2-trifluoro-, 1,1'-anhydride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 29-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10848

Trifluoroacetic anhydride: HSNO Approval: HSR004742 Approved with controls

Hazards SummaryCorrosive to skin; [eChemPortal: ERMA] Reacts with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1A (100%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

0.60 [mg/m3]

6.6 [mg/m3]

40 [mg/m3]

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F
3-10
wgk
2
tsca
TSCA listed
rtecs
AJ9800000
ridadr
UN 3265 8/PG 1
毒性
skn-rbt 500 mg/24H SEV 28ZPAK -,91,72

化学と産業

用途と製造

U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

Miscellaneous Manufacturing

Acetic acid, 2,2,2-trifluoro-, 1,1'-anhydride: ACTIVE

応用分野 · 2 件

用途トリフルオロアセチル基を導入する合成試薬として用いられる。特に対応する酸塩化物である塩化トリフルオロアセチルが気体であり取り扱いが困難であるため、本試薬の使用頻度は高い。 スワーン酸化において、ジメチルスルホキシドの活性化剤として用いられる。 また、トリフルオロ酢酸の乾燥剤として用いることができる。

使用Trifluoroacetic anhydride is used for the introduction of trifluoroacetyl group in organic synthesis. It is involved in the preparation of N- and O-trifluoroacetyl derivatives of a wide range of biologically active compounds for gas chromatography analysis. It plays an important role as desiccant for trifluoroacetic acid. It is also used in the oxidation of aldehydes to acids, esters, amides as well as in the protection of alcohols and amines. In addition, it is used as analytical reagents, solvents and dehydration condensing agent. It serves as an intermediate of fluorine fine chemicals, pharmaceuticals and agrochemicals.

調製方法 · 2 件

製造方法Trifluoroacetic anhydride is prepared by reaction of trifluoroacetyl chloride with an alkali metal or alkaline-earth metal salt of trifluoroacetic acid at approximately 50° C.

純化方法Purification by distilling over KMnO4, as for the acid above, is EXTREMELY DANGEROUS due to the possiblility of EXPLOSION. It is best purified by distilling from P2O5 slowly, and collecting the fraction boiling at 39.5o. Store it in a dry atmosphere. Highly TOXIC vapour and attacks skin, work in an efficient fume hood. [Beilstein 2 IV 469.]

上流・下流製品情報

下流製品

1-[4-(Trifluoromethyl)pyrimid-2-yl]piperazine2-シアノイソニコチン酸2-ヒドロキシ-4-(トリフルオロメチル)ピリミジン5-ブロモ-2-(ヒドロキシメチル)ピリジン 臭化物2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carbonitrile2-クロロ-4-(トリフルオロメチル)ピリミジン[ビス(トリフルオロアセトキシ)ヨード]ペンタフルオロベンゼン6-ベンゾチアゾールアミン2-Hydroxy-6-(trifluoromethyl)nicotinic acid2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide(2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl)methanamine2,6-ジクロロピリジン-4-イソシアナート

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