Difluoroacetic anhydride

HCID 2774048CAS 401-67-2

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Grundinformationen

Standard-SMILES: O=C(OC(=O)C(F)F)C(F)F
InChIKey: IYXUFOCLMOXQSL-UHFFFAOYSA-N
Summenformel: C4H2F4O3
Durchschnittliche Molmasse: 174,05 g/mol
Monoisotopische Masse: 173,99400657

Namen und Bezeichner

Bevorzugter Name: Difluoroacetic anhydride
IUPAC: (2,2-difluoroacetyl) 2,2-difluoroacetate
Englischer Name: DIFLUOROACETIC ANHYDRIDE
Summenformel: C4H2F4O3
Molmasse: 174.05

Namen und Synonyme

Difluoroacetic anhydride401-67-2DTXSID90378861RefChem:338171DTXCID40329888674-863-2(2,2-difluoroacetyl) 2,2-difluoroacetate2,2-difluoroacetyl 2,2-difluoroacetateMFCD02093315C4H2F4O3Acetic acid, difluoro-, anhydrideDIFLUOROACETICANHYDRIDE

Weitere Namen anzeigen

DifluoroaceticAnhydride>DIFLUOROACETIC ACID ANHYDRIDE2,2-Difluoro-acetic acid 1,1'-anhydrideAcetic acid,2,2-difluoro-, 1,1'-anhydride2,2-difluoroacetic acid (2,2-difluoro-1-oxoethyl) ester

1,1,5,5-Tetrafluoro-3-oxapentan-2,4-dionedifluoroactic anhydridedifluoroacetic acid anhydride2,2-difluoroacetic anhydrideSCHEMBL308254SBB051386AKOS005169317MS-20468

Datenbank-Bezeichner

CAS: 401-67-2
PubChem CID: 2774048
DTXSID: DTXSID90378861
EC Number: 674-863-2
Nikkaji: J3.794.961B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Siedepunkt: 94 ℃ · 94℃
Dichte: 1.4 · 1.4
Brechungsindex: 1.341 · 1.3410-1.3450
Flammpunkt: 11 ℃ · 11℃
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
Wichte: 1.59 · 1.59
InChI: InChI=1S/C4H2F4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
InChIKey: QNRXDQIHPGZCFB-UHFFFAOYSA-N
SMILES: C(=O)(C(F)F)OC(=O)C(F)F
CAS Datenbank: 401 · 401-67-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (22.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H290 (11.1%): May be corrosive to metals [Warning Corrosive to Metals]；H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (44.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (22.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (11.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (22.2%)；Met. Corr. 1 (11.1%)；Acute Tox. 4 (11.1%)；Acute Tox. 4 (11.1%)；Skin Corr. 1B (100%)；Eye Dam. 1 (33.3%)；Acute Tox. 4 (44.4%)；STOT SE 3 (22.2%)；Aquatic Chronic 3 (11.1%)