Basic information
- CAS
1514-85-8- Standard SMILES
O=C(O)C(F)(F)C(=O)O- InChIKey
LIHVFFFGWFBSAT-UHFFFAOYSA-N- Molecular formula
- C3H2F2O4
- Average molar mass
- 140.04 g/mol
- Monoisotopic mass
- 139.99211486
Names & identifiers
- Preferred name
- Difluoropropanedioic acid
- IUPAC
- 2,2-difluoropropanedioic acid
- English name
- difluoro-Propanedioicacid
- Molecular formula
- C3H2F2O4
- Molecular weight
- 140.04
Names & synonyms
difluoropropanedioic acid2,2-difluoropropanedioic AcidRefChem:587465826-654-41514-85-8DIFLUOROMALONIC ACID2,2-DIFLUOROMALONIC ACIDMFCD11110404difluoro-PropanedioicacidPropanedioic acid,2,2-difluoro-C3H2F2O4difluoropropanedioicacid
Show more names
2,2-difluoropropanedioicaci2,2-difluoro Propanedioic acid
SCHEMBL49481432,2-Difluoro-Propanedioic AcidCHEMBL3558712DTXSID60435930Propanedioic acid, 2,2-difluoro-Propanedioic acid, 2,2-difluoro- [AKOS005063870AT12479
Database identifiers
- CAS
1514-85-8- PubChem CID
- 10130002
- DTXSID
DTXSID60435930- ChEMBL
CHEMBL3558712- EC Number
- 826-654-4
- Nikkaji
- J80.216F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 117 · 117-118 °C
- Boiling point
- 315.8 · 315.8±42.0 °C(Predicted)
- Density
- 1.789 · 1.789±0.06 g/cm3(Predicted)
- pka
- 1.09 · 1.09±0.32(Predicted)
- form
- Solid
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314
- Precautionary statements
- 260 · P260-P280-P301+P310
- HS Code
- 2917191090 · 2917191090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2917191090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302+H312+H332-H314
- Precautionary statements
- P260-P280-P301+P310
Chemistry & industry
Suppliers21 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
济南启诚化工有限公司0531-15628998092 15628998092 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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