2,2-Difluorocyclopropane-1-carboxylic acid

HCID 2782823

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Grundinformationen

CAS: 107873-03-0
Standard-SMILES: O=C(O)C1CC1(F)F
InChIKey: KMLMOVWSQPHQME-UHFFFAOYSA-N
Summenformel: C4H4F2O2
Durchschnittliche Molmasse: 122,07 g/mol
Monoisotopische Masse: 122,01793581

Namen und Bezeichner

Bevorzugter Name: 2,2-Difluorocyclopropane-1-carboxylic acid
IUPAC: 2,2-difluorocyclopropane-1-carboxylic acid
Englischer Name: 2,2-Difluorocyclopropanecarboxylic acid
Summenformel: C4H4F2O2
Molmasse: 122.07

Namen und Synonyme

2,2-difluorocyclopropane-1-carboxylic AcidRefChem:441147679-017-62,2-Difluorocyclopropanecarboxylic acid107873-03-0MFCD041158282,2-difluoro-cyclopropanecarboxylic acid2,2-DifluorocyclopropanecarboxylicacidSCHEMBL301120DTXSID90382322AKOS005254595AB20620

Weitere Namen anzeigen

2-Carboxy-1,1-difluorocyclopropane2-DIFLUOROCYCLOPROPANECARBOXYLIC ACID2,1-difluoro-Cyclopropanecarboxylic acid2,2-Difluoro-cyclopropan-carboxylic acid2,2-Difluorocyclopropanecarboxylic acid 97%2,2-Difluorocyclopropane-1-carboxylic acid 98%

PB485282,2-Difluorocyclopropane carboxylic acidD5977EN300-59738CYCLOPROPANECARBOXYLIC ACID, 2,2-DIFLUORO-AMY3255BCP19593SY099275

Datenbank-Bezeichner

CAS: 107873-03-0
PubChem CID: 2782823
DTXSID: DTXSID90382322
EC Number: 679-017-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 132

Physikochemische Eigenschaften

Schmelzpunkt: 60 · 60-65 °C
Siedepunkt: 70 °C/7 · 70 °C/7 mmHg
Dichte: 1.48 · 1.48±0.1 g/cm3(Predicted)
Flammpunkt: 70 °C/7mm · 70°C/7mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 3.22 · 3.22±0.22(Predicted)
Aggregatzustand: crystalline powder
Farbe: White
Wasserlöslichkeit: Soluble in water.
InChI: InChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
InChIKey: KMLMOVWSQPHQME-UHFFFAOYSA-N
SMILES: C1(C(O)=O)CC1(F)F
CAS Datenbank: 107873 · 107873-03-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

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

Aggregated GHS information provided per 76 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: 3265
hs_code: 2916200090
risk_code: 34
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden2,2-Difluorocyclopropanecarboxylic acid derivative (i.e. 2,2-difluorocyclopropanecarbonyl chloride) is used in Friedel-Crafts reactions with various arenes to prepare aryl 2,2-difluorocyclopropyl ketones.