DL-2-(3-Trifluoromethyl)phenylglycollic acid
Basic information
- CAS
349-10-0- Standard SMILES
O=C(O)C(O)c1cccc(C(F)(F)F)c1- InChIKey
WECBNRQPNXNRSJ-UHFFFAOYSA-N- Molecular formula
- C9H7F3O3
- Average molar mass
- 220.14 g/mol
- Monoisotopic mass
- 220.03472857
Names & identifiers
- Preferred name
- DL-2-(3-Trifluoromethyl)phenylglycollic acid
- IUPAC
- 2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetic acid
- English name
- 3-(TRIFLUOROMETHYL)MANDELIC ACID
- Molecular formula
- C9H7F3O3
- Molecular weight
- 220.15
Names & synonyms
DL-2-(3-Trifluoromethyl)phenylglycollic acidEINECS 206-484-1RefChem:589896206-484-13-(Trifluoromethyl)mandelic acid349-10-02-hydroxy-2-[3-(trifluoromethyl)phenyl]acetic acid(3-trifluoromethyl)mandelic acidMFCD000143392-hydroxy-2-(3-(trifluoromethyl)phenyl)acetic acidhydroxy[3-(trifluoromethyl)phenyl]acetic acid2-Hydroxy-2-(3-trifluoromethylphenyl)ethanoic acid
Show more names
m-Trifluoromethylmandelic acidα-Hydroxy-3-(trifluoromethyl)benzeneacetic acidBenzeneacetic acid, α-hydroxy-3-(trifluoromethyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanoic acid
SCHEMBL5159938SCHEMBL29658570DTXSID80956374AAA34910AKOS005265621SB49784AS-38552SY198019
Database identifiers
- CAS
349-10-0- PubChem CID
- 101658
- DTXSID
DTXSID80956374- EC Number
- 206-484-1
- Nikkaji
- J193.807J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 298.7 · 298.7±35.0 °C(Predicted)
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
- pka
- 3.22 · 3.22±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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 2 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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…