Basic information
- Standard SMILES
O=C(O)C(O)c1c(F)c(F)c(F)c(F)c1F- InChIKey
GGQAKKRNFCXRFB-UHFFFAOYSA-N- Molecular formula
- C8H3F5O3
- Average molar mass
- 242.1 g/mol
- Monoisotopic mass
- 242.00023476
Names & identifiers
- Preferred name
- (Pentafluorophenyl)glycolic acid
- IUPAC
- 2-hydroxy-2-(2,3,4,5,6-pentafluorophenyl)acetic acid
- English name
- (pentafluorophenyl)glycolic acid
- Molecular formula
- C8H3F5O3
- Molecular weight
- 242.1
Names & synonyms
652-24-4(Pentafluorophenyl)glycolic acidPentafluoromandelic acid2-hydroxy-2-(2,3,4,5,6-pentafluorophenyl)acetic acid2,3,4,5,6-pentafluoromandelic acidMFCD000143372-hydroxy-2-(pentafluorophenyl)acetic acidhydroxy(pentafluorophenyl)acetic acidEINECS 211-486-0SCHEMBL7471164DTXSID40983782AKOS023119026
Show more names
2-Hydroxy-2-(perfluorophenyl)acetic acidα-Hydroxy-2,3,4,5,6-pentafluorobenzeneacetic acidBenzeneacetic acid, 2,3,4,5,6-pentafluoro-α-hydroxy-
DL-2,3,4,5,6-Pentafluoromandelic acidSY315018CS-0267391NS00042259EN300-1850873F0053782,3,4,5,6-Pentafluoro-a-hydroxybenzeneacetic acid
Database identifiers
- CAS
652-24-4- PubChem CID
- 102460
- DTXSID
DTXSID40983782- EC Number
- 211-486-0
- Nikkaji
- J205.931B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 141 · 141-142 °C(Solv: benzene (71-43-2))
- Boiling point
- 277.1 · 277.1±35.0 °C(Predicted)
- Density
- 1.777 · 1.777±0.06 g/cm3(Predicted)
- pka
- 2 · 2+-.0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers3 total
Fluorochem Ltd[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
Related reactions
1 records
Linked notes
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