2,6-Difluoromandelic acid
Basic information
- CAS
207981-50-8- Standard SMILES
O=C(O)C(O)c1c(F)cccc1F- InChIKey
BMZWDQNFSCPFCG-UHFFFAOYSA-N- Molecular formula
- C8H6F2O3
- Average molar mass
- 188.13 g/mol
- Monoisotopic mass
- 188.02850037
Names & identifiers
- Preferred name
- 2,6-Difluoromandelic acid
- IUPAC
- 2-(2,6-difluorophenyl)-2-hydroxyacetic acid
- English name
- 2,6-Difluoromandelic acid
- Molecular formula
- C8H6F2O3
- Molecular weight
- 188.13
Names & synonyms
2,6-Difluoromandelic acid207981-50-8DTXSID30343270RefChem:83235DTXCID90294350670-873-6BMZWDQNFSCPFCG-UHFFFAOYSA-N2-(2,6-difluorophenyl)-2-hydroxyacetic acidMFCD00061298(2,6-Difluorophenyl)(hydroxy)acetic acidAKOS005265559PS-6599
Show more names
2,6-Difluoromandelicacid90%2,6-Difluoromandelic acid 90%2,6-Difluoromandelic acid, tech.2,6-Difluoromandelicacid,tech.90%à-hydroxy-2,6-difluorophenylacetic acid2,6-Difluoro-α-hydroxybenzeneacetic acidBenzeneacetic acid, 2,6-difluoro-α-hydroxy-alpha-Hydroxy-2,6-difluorophenylacetic acid
SY3146832-(2,6-difluorophenyl)-2-hydroxyaceticacidE84040Benzeneacetic acid, 2,6-difluoro-alpha-hydroxy-(2,6-DIFLUORO-PHENYL)-HYDROXY-ACETIC ACIDSCHEMBL1669003SBB063938AC-10454
Database identifiers
- CAS
207981-50-8- PubChem CID
- 588607
- DTXSID
DTXSID30343270- EC Number
- 670-873-6
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 142 · 142-145°C
- Boiling point
- 299.3 · 299.3±35.0 °C(Predicted)
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.24 · 3.24±0.10(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 207981 · 207981-50-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
- IRRITANT
- HS Code
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2918199890
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Related reactions
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Compound notes
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