2-Hydroxy-4-(trifluoromethyl)benzaldehyde

HCID 22493901

Notes Reactions

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Basic information

CAS: 58914-34-4
Standard SMILES: O=Cc1ccc(C(F)(F)F)cc1O
InChIKey: YHYNJGHMBMXAFB-UHFFFAOYSA-N
Molecular formula: C8H5F3O2
Average molar mass: 190.12 g/mol
Monoisotopic mass: 190.02416406

Names & identifiers

Preferred name: 2-Hydroxy-4-(trifluoromethyl)benzaldehyde
IUPAC: 2-hydroxy-4-(trifluoromethyl)benzaldehyde
English name: 2-Formyl-5-(trifluoromethyl)phenol, 4-Formyl-3-hydroxybenzotrifluoride, 4-(Trifluoromethyl)salicylaldehyde
Molecular formula: C8H5F3O2
Molecular weight: 190.12

Names & synonyms

2-hydroxy-4-(trifluoromethyl)benzaldehyde58914-34-4DTXSID60626169RefChem:261704DTXCID50576922829-951-7MFCD04039240Benzaldehyde, 2-hydroxy-4-(trifluoromethyl)-2-Formyl-5-(trifluoromethyl)phenol, 4-Formyl-3-hydroxybenzotrifluoride, 4-(Trifluoromethyl)salicylaldehydep-Trifluoromethylsalicylaldehyde4-(Trifluoromethyl)salicylaldehydeSCHEMBL537374

Show more names

2-Hydroxy-4-(trifluoromethyl)4-trifluoromethylsalicaldehyde2-Formyl-5-(trifluoromethyl)phenol4-Formyl-3-hydroxybenzotrifluoride2-Hydroxy-4-(tifluoromethyl)benzaldehyde2-Hydroxy-4-(trifluoromethyl)benzaldehyde97%

4-TrifluoromethylsalicyaldehydeSCHEMBL279085544-(Trifluoromethyl)salicyl AldehydeCL9041AKOS016344391FH63505MB03144DS-11935

Database identifiers

CAS: 58914-34-4
PubChem CID: 22493901
DTXSID: DTXSID60626169
EC Number: 829-951-7

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 190

Physicochemical properties

Boiling point: 217.8 · 217.8±40.0 °C(Predicted)
Density: 1.429 · 1.429±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 7.17 · 7.17±0.10(Predicted)
color: Colourless to Pale Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280
HS Code: 2912210000 · 2912210000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2912210000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P280

Chemistry & industry

Applications

Uses2-Hydroxy-4-(trifluoromethyl)benzaldehyde (cas# 58914-34-4) is used as a reactant in the preparation of flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease.