CAS 220239-68-9 4-Hydroxy-3-(trifluoromethyl)benzoic acid (HCID 2775112)

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Basic information

CAS: 220239-68-9
Standard SMILES: O=C(O)c1ccc(O)c(C(F)(F)F)c1
InChIKey: DPVRVZQEDJVWLS-UHFFFAOYSA-N
Molecular formula: C8H5F3O3
Average molar mass: 206.12 g/mol
Monoisotopic mass: 206.01907868

Names & identifiers

Preferred name: 4-Hydroxy-3-(trifluoromethyl)benzoic acid
IUPAC: 4-hydroxy-3-(trifluoromethyl)benzoic acid
English name: 4-Hydroxy-3-(trifluoromethyl)benzoic acid
Molecular formula: C8H5F3O3
Molecular weight: 206.12

Names & synonyms

4-hydroxy-3-(trifluoromethyl)benzoic Acid220239-68-9DTXSID50944627RefChem:523804DTXCID601372967630-267-44-hydroxy-3-trifluoromethylbenzoic acid239-68-9MFCD01091008Benzoic acid, 4-hydroxy-3-(trifluoromethyl)-4-Hydroxy-3-(trifluoromethyl)benzoicacidSCHEMBL402677

Show more names

4-Carboxy-2-(trifluoromethyl)phenol, 5-Carboxy-2-hydroxybenzotrifluoride

RARECHEM AL BE 1191CL8122SBB093589AKOS005254222CS-W006216FH67495FS-13184-hydroxy-3-trifluoromethyl-benzoic acid

Database identifiers

CAS: 220239-68-9
PubChem CID: 2775112
DTXSID: DTXSID50944627
EC Number: 630-267-4

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 226

Physicochemical properties

Melting point: 144 · 144-147°C
storage temp.: Sealed in dry,Room Temperature
form: powder
color: Cream
CAS DataBase Reference: 220239 · 220239-68-9(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: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2918290090 · 2918290090

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.