Difluoressigsure
Difluoroacetic acid
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Grundinformationen
- CAS
381-73-7- Standard-SMILES
O=C(O)C(F)F- InChIKey
PBWZKZYHONABLN-UHFFFAOYSA-N- Summenformel
- C2H2F2O2
- Durchschnittliche Molmasse
- 96,03 g/mol
- Monoisotopische Masse
- 96,00228574
Überblick
Difluoroacetic acid is a monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by fluorines. It is a monocarboxylic acid and an organofluorine compound. It is functionally related to an acetic acid. It is a conjugate acid of a difluoroacetate.
Namen und Bezeichner
- Bevorzugter Name
- Difluoroacetic acid
- IUPAC
- 2,2-difluoroacetic acid
- Lokaler Name
- Difluoressigsure
- Englischer Name
- Difluoroacetic acid
- Summenformel
- C2H2F2O2
- Molmasse
- 96.03
Namen und Synonyme
DIFLUOROACETIC ACID381-73-7Acetic acid, difluoro-ZQK1C95K3NAcetic acid, 2,2-difluoro-DTXSID2059932CHEBI:23716RefChem:133589DTXCID5039430206-839-02,2-Difluoroacetic acidDifluoressigsaeure
Weitere Namen anzeigen
DIFLUOROACETATEifluoroaceticaciVITAS-BB TBB000649difluoro-aceticaciDifluoroaceticacid98%Twotrifluoroacetic acid
1,1-difluoroacetic acidC2H2F2O2MFCD00004220EINECS 206-839-0UNII-ZQK1C95K3NBRN 1098588AI3-28548difluoracetic acid
Datenbank-Bezeichner
- CAS
381-73-7- PubChem CID
- 9788
- DTXSID
DTXSID2059932- ChEMBL
CHEMBL453969- ChEBI
CHEBI:23716- UNII
- ZQK1C95K3N
- EC Number
- 206-839-0
- Nikkaji
- J54.208C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 60,6
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesCoriolis coupling
Physikochemische Eigenschaften
- Schmelzpunkt
- -1 °C · -1 °C (lit.)
- Siedepunkt
- 132 · 132-134 °C (lit.)
- Dichte
- 1.526 g/mL · 1.526 g/mL at 25 °C (lit.)
- Dampfdruck
- 11.7 hPa · 11.7hPa at 25℃
- Brechungsindex
- 20 · n20/D 1.344(lit.)
- Flammpunkt
- 174 °F · 174 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 540.54 g/L · 540.54g/L in organic solvents at 20 ℃
- Aggregatzustand
- Liquid
- pka
- 1 · pK1:1.33 (25°C)
- Farbe
- Clear colorless to light brown
- Wichte
- 1.527 · 1.527 (20℃)
- Wasserlöslichkeit
- 1000 g/L · 1000g/L at 37℃
- BRN
- 1098588 · 1098588
- Henry's Law Constant
- 3 · 3.0×102 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- InChI
- 1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)
- InChIKey
- PBWZKZYHONABLN-UHFFFAOYSA-N
- SMILES
- OC(=O)C(F)F
- LogP
- 0.601 at · 0.601 at 37℃
- CAS Datenbank
- 381 · 381-73-7(CAS DataBase Reference)
- NIST chemische Informationen
- Difluoroacetic acid(381-73-7)
- EPA chemische Informationen
- Acetic acid, difluoro- (381-73-7)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory.
Danger
H227: Combustible liquid [Warning Flammable liquids]
Gefahrenhinweise
Regulatory Information
Regulation (EC) No 396/2005 (amended)
Status: Cease Manufacture Update: 08-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11679
Acetic acid, difluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Corr. 1A (100%)
Flammable liquids - Category 4
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29159080
- RTECS-Nr.
- AG9900000
- risk_code
- 34-35
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 InhalationAquatic Chronic 3Eye Dam. 1Skin Corr. 1A
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationAcetic acid, 2,2-difluoro-: ACTIVE
Anwendungen
VerwendenUsed in the preparation of 2-difluoromethylbenzimidazoles, -oxazoles and -thiazoles from ortho-substituted anilines mediated by triphenylphoshine.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by fluorines.
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