2-(4-(Trifluoromethoxy)phenoxy)acetic acid

HCID 697705

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Basic information

CAS: 72220-50-9
Standard SMILES: O=C(O)COc1ccc(OC(F)(F)F)cc1
InChIKey: QHSBEEUEIRDHCD-UHFFFAOYSA-N
Molecular formula: C9H7F3O4
Average molar mass: 236.14 g/mol
Monoisotopic mass: 236.02964319

Names & identifiers

Preferred name: 2-(4-(Trifluoromethoxy)phenoxy)acetic acid
IUPAC: 2-[4-(trifluoromethoxy)phenoxy]acetic acid
English name: 4-(Trifluoromethoxy)phenoxyacetic acid
Molecular formula: C9H7F3O4
Molecular weight: 236.14

Names & synonyms

72220-50-92-(4-(Trifluoromethoxy)phenoxy)acetic acid4-(Trifluoromethoxy)phenoxyacetic acid2-[4-(trifluoromethoxy)phenoxy]acetic acid[4-(trifluoromethoxy)phenoxy]acetic acidMFCD00052352(4-trifluoromethoxy-phenoxy)-acetic acidAcetic acid, [4-(trifluoromethoxy)phenoxy]-Acetic acid, 2-[4-(trifluoromethoxy)phenoxy]-Maybridge1_006105Acetic acid, [4-(trifluoAE-641/13516020

Show more names

BUTTPARK 29\08-63AKOS BBS-00002887P-trifluoromethoxyphenoxyacetic acid4-(Trifluoromethoxy)phenoxyaceticacid97%4-(Trifluoromethoxy)phenoxyacetic acid 97%

SCHEMBL656941HMS558N11DTXSID603513234-trifluoromethoxyphenoxyacetic acidALBB-035243SBB040056STK727412AKOS000271180

Database identifiers

CAS: 72220-50-9
PubChem CID: 697705
DTXSID: DTXSID60351323
EC Number: 673-129-9

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 233

Physicochemical properties

Melting point: 84 · 84-86°C
Boiling point: 282.2 · 282.2±35.0 °C(Predicted)
Density: 1.431 · 1.431±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.05 · 3.05±0.10(Predicted)
form: powder
color: White
CAS DataBase Reference: 72220 · 72220-50-9(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: C
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
Hazard Note: Corrosive
HS Code: 2918999090 · 2918999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.