Difluoressigsure

Difluoroacetic acid

HCID 9788CAS 381-73-7
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Grundinformationen

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 Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 3 Einträge

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 · 2 Einträge

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

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

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]
济南中蓝化工有限公司15169176553; 15169176553 · [email protected]

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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