4-Difluoromethoxy-3-hydroxybenzaldehyde

C₈H₆F₂O₃CAS 151103-08-1188.13 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ether Phenol

Properties

Molecular formula: C₈H₆F₂O₃
Molar mass: 188.13 g/mol
Exact mass: 188.0285 Da
logP: 1.81Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed89.8% of notifiers
H315 Causes skin irritation93.9% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation91.8% of notifiers
H411 Toxic to aquatic life with long lasting effects85.7% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

151103-08-1

SMILES

C1=CC(=C(C=C1C=O)O)OC(F)F

InChIKey

ZLIKNROJGXXNJG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O3/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-4,8,12H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-(Difluoromethoxy)-3-hydroxybenzaldehyde

Work with 4-Difluoromethoxy-3-hydroxybenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isovanillin621-59-061 % similar 4-(Difluoromethoxy)-3-methoxybenzaldehyde162401-70-961 % similar Protocatechuic aldehyde139-85-555 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-053 % similar p-(Difluoromethoxy)benzaldehyde73960-07-351 % similar 3-(Difluoromethoxy)benzaldehyde85684-61-350 % similar 4-Hydroxy-3-(trifluoromethoxy)benzaldehyde53104-95-349 % similar Vanillin121-33-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Difluoro-4-methoxybenzoic acid123843-65-2 2-(3,4-Difluorophenyl)-2-hydroxyacetic acid132741-29-8 2,4-Difluoromandelic acid132741-30-1 3,5-Difluoromandelic acid132741-31-2 2,4-Difluoro-3-methoxybenzoic acid178974-97-5 2,5-Difluoro-α-hydroxybenzeneacetic acid207853-61-0 2,3-Difluoromandelic acid207974-19-4 2,6-Difluoromandelic acid207981-50-8

Elsewhere

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