トリフルオロアセトアミド
Trifluoroacetamide
基本情報
- CAS
354-38-1- 標準SMILES
NC(=O)C(F)(F)F- InChIKey
NRKYWOKHZRQRJR-UHFFFAOYSA-N- 分子式
- C2H2F3NO
- 平均分子量
- 113.04 g/mol
- 単同位体質量
- 113.00884834
名称と識別子
- 優先名称
- Trifluoroacetamide
- IUPAC
- 2,2,2-trifluoroacetamide
- 現地名
- トリフルオロアセトアミド
- 英語名
- Trifluoroacetamide
- 分子式
- C2H2F3NO
- 分子量
- 113.04
名称と別名
Trifluoroacetamide2,2,2-Trifluoroacetamide354-38-1Acetamide, 2,2,2-trifluoro-36MU16BYFKNSC-9449DTXSID1059868RefChem:191574DTXCID0039011206-559-9N-trifluoroacetamideC2H2F3NO
名称をさらに表示
トリフルオロアセトアミドα,α,α-トリフルオロアセトアミド2,2,2-トリフルオロアセトアミド2，2，2トリフルオロアセタミドCF3CONH2Triflouroacetamide2-TriflouroacetaMide2,2,4-TrifluoroacetamideThree-Three fluoroacetaMide
MFCD00008008trifluroacetamidetrifluoroacetic acid amidetrifluoro-acetamideNSC 9449BDBM50226184AKOS005207149T0598
データベース識別子
- CAS
354-38-1- PubChem CID
- 67717
- DTXSID
DTXSID1059868- ChEMBL
CHEMBL117012- UNII
- 36MU16BYFK
- EC Number
- 206-559-9
- Nikkaji
- J157.866I
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 43.1 Ų
- 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
- 7
- 形式電荷
- 0
- 複雑度
- 85.4
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
PFAS
SpringerMaterials PropertiesSchoenflies notation
LogP0.12
Vapor Pressure1.85 [mmHg]
Physical DescriptionWhite to light yellow crystalline powder with a slight ether-like odor; [Acros Organics MSDS]
物理化学的性質
- 融点
- 65 · 65-70 °C (lit.)
- 沸点
- 162.5 °C · 162.5 °C (lit.)
- 比重(密度)
- 1.4176 · 1.4176 (estimate)
- 闪点
- 162 · 162-164°C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 460 g/L · 460g/L(20℃)
- 酸解離定数(Pka)
- 12.33 · 12.33±0.50(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (27.8%): 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 151 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Status: Active Update: 08-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12379
2,2,2-Trifluoroacetamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [ECHA REACH Registrations] An irritant; [Acros Organics MSDS] See Chloroacetamide and Fluoroacetamide.
Hazard Classes and CategoriesAcute Tox. 4 (27.8%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1759
- hs_code
- 2924199090
- risk_code
- 36/37/38
- 化審法
- (2)-3531
- hazard_code
- Xi
- hazard_note
- Harmful/Irritant
- safety_code
- 26-36-37/39
- hazard_class
- 8
化学と産業
用途と製造
UsesUsed as an intermediate in fine chemical manufacture and in scientific research and development; [ECHA REACH Registrations]
General Manufacturing InformationAcetamide, 2,2,2-trifluoro-: ACTIVE
応用分野
使用2,2,2-Trifluoroacetamide used in a convenient alternative to the Gabriel synthesis of primary amines from halides by N-alkylation followed by cleavage of the readily-hydrolyzed trifluoroacetyl group and for improved N-alkylation under phase-transfer conditions allowing successive alkylation with different alkyl groups.
一般的な説明Trifluoroacetamide is a good quencher of tryptophan fluorescence.
上流・下流製品情報
上流原料
下流製品
関連反応
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