Basic information
- CAS
401-67-2- Standard SMILES
O=C(OC(=O)C(F)F)C(F)F- InChIKey
IYXUFOCLMOXQSL-UHFFFAOYSA-N- Molecular formula
- C4H2F4O3
- Average molar mass
- 174.05 g/mol
- Monoisotopic mass
- 173.99400657
Names & identifiers
- Preferred name
- Difluoroacetic anhydride
- IUPAC
- (2,2-difluoroacetyl) 2,2-difluoroacetate
- English name
- DIFLUOROACETIC ANHYDRIDE
- Molecular formula
- C4H2F4O3
- Molecular weight
- 174.05
Names & synonyms
Difluoroacetic anhydride401-67-2DTXSID90378861RefChem:338171DTXCID40329888674-863-2(2,2-difluoroacetyl) 2,2-difluoroacetate2,2-difluoroacetyl 2,2-difluoroacetateMFCD02093315C4H2F4O3Acetic acid, difluoro-, anhydrideDIFLUOROACETICANHYDRIDE
Show more names
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
Database identifiers
- CAS
401-67-2- PubChem CID
- 2774048
- DTXSID
DTXSID90378861- EC Number
- 674-863-2
- Nikkaji
- J3.794.961B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 94 ℃ · 94℃
- Density
- 1.4 · 1.4
- refractive index
- 1.341 · 1.3410-1.3450
- Flash point
- 11 ℃ · 11℃
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 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 DataBase Reference
- 401 · 401-67-2
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 227 · H227-H290-H314
- Precautionary statements
- 210 · P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
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%)
Safety data
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers100 total
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]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
济南中蓝化工有限公司15169176553; 15169176553 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
4 records
Compound notes
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