(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid
Basic information
- CAS
32222-45-0- Standard SMILES
O=C(O)[C@H](O)c1ccc(F)cc1- InChIKey
RWCMOQXHIDWDDJ-SSDOTTSWSA-N- Molecular formula
- C8H7FO3
- Average molar mass
- 170.14 g/mol
- Monoisotopic mass
- 170.03792224
Names & identifiers
- Preferred name
- (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid
- IUPAC
- (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid
- English name
- 4-Fluoro-D-mandelic acid
- Molecular formula
- C8H7FO3
- Molecular weight
- 170.14
Names & synonyms
32222-45-0(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acidRefChem:397036662-945-0(R)-2-(4-fluorophenyl)-2-hydroxyacetic acid(r)-4-fluoromandelic acid4-Fluoro-D-mandelic acidMFCD20638902SY264087SCHEMBL196920RWCMOQXHIDWDDJ-SSDOTTSWSA-N(R)-(-)-para-fluoromandelic acid
Show more names
Benzeneacetic acid, 4-fluoro-α-hydroxy-, (αR)-(R)-2-(4-Fluorophenyl)-2-hydroxyacetic acid - [F90857](R)-4-Fluoromandelic acid ChiPros(R), produced by BASF, 98%
AKOS037649551CS-11352(2R)-(4-Fluorophenyl)(hydroxy)acetic acid(R)-2-(4-fluorophenyl)-2-hydroxyaceticacidCS-0343264G66043(2R)-2-(4-fluorophenyl)-2-hydroxy-acetic acidEN300-6754344
Database identifiers
- CAS
32222-45-0- PubChem CID
- 6994465
- EC Number
- 662-945-0
- Nikkaji
- J841.174C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 322.4 · 322.4±27.0 °C(Predicted)
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.17 · 3.17±0.10(Predicted)
- form
- powder
- Appearance
- White to off-white Solid
- InChI
- 1S/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
- InChIKey
- RWCMOQXHIDWDDJ-SSDOTTSWSA-N
- SMILES
- O[C@@H](C(O)=O)C1=CC=C(F)C=C1
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
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 39 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
- wgk
- WGK 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Related reactions
1 records
Compound notes
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