CAS 220239-67-8 2-[2-(Trifluoromethoxy)phenyl]acetic acid (HCID 2777313)

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Basic information

CAS: 220239-67-8
Standard SMILES: O=C(O)Cc1ccccc1OC(F)(F)F
InChIKey: QFLBBLZROQPTAI-UHFFFAOYSA-N
Molecular formula: C9H7F3O3
Average molar mass: 220.14 g/mol
Monoisotopic mass: 220.03472874

Names & identifiers

Preferred name: 2-[2-(Trifluoromethoxy)phenyl]acetic acid
IUPAC: 2-[2-(trifluoromethoxy)phenyl]acetic acid
English name: 2-(Trifluoromethoxy)phenylacetic acid
Molecular formula: C9H7F3O3
Molecular weight: 220.15

Names & synonyms

2-(2-(Trifluoromethoxy)phenyl)acetic acid2-[2-(trifluoromethoxy)phenyl]acetic AcidRefChem:453194642-471-0220239-67-82-(Trifluoromethoxy)phenylacetic acidMFCD00236325[2-(trifluoromethoxy)phenyl]acetic acidBenzeneacetic acid, 2-(trifluoromethoxy)-{2-[(trifluoromethyl)oxy]phenyl}acetic acidSCHEMBL5342542-(Carboxymethyl)-alpha,alpha,alpha-trifluoroanisole

Show more names

RARECHEM AL BO 08572-(Trifluoromethoxy)phenylaceticacid98%2-(Trifluoromethoxy)phenylacetic acid 98%

SCHEMBL6963700SCHEMBL29782307DTXSID303804682-trifluoromethoxyphenylacetic acid2-trifluoromethoxyphenyl acetic acidCK1036SBB095895AKOS005258517

Database identifiers

CAS: 220239-67-8
PubChem CID: 2777313
DTXSID: DTXSID30380468
EC Number: 642-471-0

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 227

Physicochemical properties

Melting point: 54 · 54-56°C
Boiling point: 247.9 · 247.9±35.0 °C(Predicted)
Density: 1.399 · 1.399±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.02 · 4.02±0.10(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 220239 · 220239-67-8(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 · 36/37/38-36
Safety Statements: 26 · 26-36
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.