Trifluoroacetamide (HCID 67717)

Namen und Bezeichner

Bevorzugter Name: Trifluoroacetamide
IUPAC: 2,2,2-trifluoroacetamide
Lokaler Name: 2,2,2-Trifluoracetamid
Englischer Name: Trifluoroacetamide
Summenformel: C2H2F3NO
Molmasse: 113.04

Namen und Synonyme

Trifluoroacetamide2,2,2-Trifluoroacetamide354-38-1Acetamide, 2,2,2-trifluoro-36MU16BYFKNSC-9449DTXSID1059868RefChem:191574DTXCID0039011206-559-9N-trifluoroacetamideC2H2F3NO

Weitere Namen anzeigen

CF3CONH2Triflouroacetamide2-TriflouroacetaMide2,2,4-TrifluoroacetamideThree-Three fluoroacetaMide

MFCD00008008trifluroacetamidetrifluoroacetic acid amidetrifluoro-acetamideNSC 9449BDBM50226184AKOS005207149T0598

Datenbank-Bezeichner

CAS: 354-38-1
PubChem CID: 67717
DTXSID: DTXSID1059868
ChEMBL: CHEMBL117012
UNII: 36MU16BYFK
EC Number: 206-559-9
Nikkaji: J157.866I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 43,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 85,4

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

PFAS · 3 Einträge

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]

Physikochemische Eigenschaften

Schmelzpunkt: 65 · 65-70 °C (lit.)
Siedepunkt: 162.5 °C · 162.5 °C (lit.)
Dichte: 1.4176 · 1.4176 (estimate)
Flammpunkt: 162 · 162-164°C
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 460 g/L · 460 g/L (20°C)
pka: 12.33 · 12.33±0.50(Predicted)
Aggregatzustand: Crystalline Powder or Crystals
Farbe: White to pale yellow or beige
PH: 3.6 · 3.6 (460g/l, H2O, 23℃)
Wasserlöslichkeit: 460 g/L · 460 g/L (20 ºC)
BRN: 1753625 · 1753625
InChI: 1S/C2H2F3NO/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKey: NRKYWOKHZRQRJR-UHFFFAOYSA-N
SMILES: NC(=O)C(F)(F)F
LogP: 0.725 at · 0.725 at 23℃ and pH4.83
CAS Datenbank: 354 · 354-38-1(CAS DataBase Reference)
NIST chemische Informationen: 2 · Acetamide, 2,2,2-trifluoro-(354-38-1)
EPA chemische Informationen: 2 · Acetamide, 2,2,2-trifluoro- (354-38-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 1759
hs_code: 29241900
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Harmful/Irritant
safety_code: 26-36-37/39
hazard_class: 8
packing_group: III
Speicherklasse: 13 - Non Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen · 1 Eintrag

Verwenden2,2,2-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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

5-(CHLOROMETHYL)-2-(TRIFLUOROMETHYL)THIAZOLE (2-(TRIFLUOROMETHYL)THIAZOL-5-YL)METHANOL 2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL 2-BROMO-1-(2-(TRIFLUOROMETHYL)THIAZOL-5-YL)ETHANONE ETHYL 2-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE TRIFLUOROACETYL ISOCYANATE,2,2,2-Trifluorethylamin 2-(TRIFLUOROMETHYL)THIAZOLE-5-CARBALDEHYDE 2,2-dibromoacetamide 2,2,2-Trifluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide 8-(TRIFLUOROMETHYL)-9H-PURIN-6-AMINE methyl 4-[(trifluoroacetyl)amino]benzoate

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南万兴达新材料科技有限公司0531-88064106 18253116016 · [email protected]

Zugehörige Reaktionen

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HRID 136453als Produktals EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 185490als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

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