2,5-Bis(trifluoromethyl)phenylacetic acid
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Basic information
- CAS
302912-02-3- Standard SMILES
O=C(O)Cc1cc(C(F)(F)F)ccc1C(F)(F)F- InChIKey
AWTNYFICBCCTBY-UHFFFAOYSA-N- Molecular formula
- C10H6F6O2
- Average molar mass
- 272.14 g/mol
- Monoisotopic mass
- 272.0271984
Names & identifiers
- Preferred name
- 2,5-Bis(trifluoromethyl)phenylacetic acid
- IUPAC
- 2-[2,5-bis(trifluoromethyl)phenyl]acetic acid
- English name
- 2,5-BIS(TRIFLUOROMETHYL)PHENYLACETIC ACID
- Molecular formula
- C10H6F6O2
- Molecular weight
- 272.14
Names & synonyms
302912-02-32,5-Bis(trifluoromethyl)phenylacetic acidDTXSID50378281RefChem:444139DTXCID40329308623-984-92-(2,5-Bis(trifluoromethyl)phenyl)acetic acid2-[2,5-bis(trifluoromethyl)phenyl]acetic Acid[2,5-bis(trifluoromethyl)phenyl]acetic acidMFCD01321246Benzeneacetic acid, 2,5-bis(trifluoromethyl)-SCHEMBL5574328
Show more names
RARECHEM AL BO 14182,5-BIS(TRIFLUOROMETHYL)PHENYLACETICBis(trifluoromethyl)phenyl)acetic acid2,5-Bis(trifluoromethyl)benzeneacetic acid2,5-Bis(trifluoromethyl)phenylaceticacid98%3,3,3-trifluoro-2-[3-(trifluoromethyl)phenyl]propanoic acid
AWTNYFICBCCTBY-UHFFFAOYSA-NAKOS015957032AT26594JS-4395DB-0477472,5-Bis(trifluoromethyl)phenylacetic acid, 97%EN300-18574144F013766
Database identifiers
- CAS
302912-02-3- PubChem CID
- 2773201
- DTXSID
DTXSID50378281- EC Number
- 623-984-9
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 95 · 95-98 °C (lit.)
- storage temp.
- Store at room temperature
- form
- crystalline powder
- color
- White
- InChI
- 1S/C10H6F6O2/c11-9(12,13)6-1-2-7(10(14,15)16)5(3-6)4-8(17)18/h1-3H,4H2,(H,17,18)
- InChIKey
- AWTNYFICBCCTBY-UHFFFAOYSA-N
- SMILES
- OC(=O)Cc1cc(ccc1C(F)(F)F)C(F)(F)F
- CAS DataBase Reference
- 302912 · 302912-02-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
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 41 reports by companies from 3 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2916399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- 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-P264-P271-P280-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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