2-(Difluoromethoxy)benzaldehyde

C₈H₆F₂O₂CAS 71653-64-0172.13 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ether

Properties

Molecular formula: C₈H₆F₂O₂
Molar mass: 172.13 g/mol
Exact mass: 172.0336 Da
Boiling point: 94–96 °C (at 10 Torr)
logP: 2.10Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

71653-64-0

SMILES

O=Cc1ccccc1OC(F)F

InChIKey

QPBNHDFPMRENBC-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O2/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-5,8H

Weigh it out

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

Names and synonyms

2 names

Benzaldehyde, 2-(difluoromethoxy)-
o-(Difluoromethoxy)benzaldehyde

Work with 2-(Difluoromethoxy)benzaldehyde

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

2-(Trifluoromethoxy)benzaldehyde94651-33-956 % similar 2-Methoxybenzaldehyde135-02-455 % similar 2-Phenoxybenzaldehyde19434-34-553 % similar 1-Bromo-2-(difluoromethoxy)benzene175278-33-852 % similar o-((Trimethylsilyl)oxy)benzaldehyde1078-31-550 % similar 2-(Difluoromethoxy)aniline22236-04-050 % similar 2-Fluorobenzaldehyde446-52-650 % similar 2-Ethoxybenzaldehyde613-69-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 2,5-Difluoro-4-methylbenzoic acid103877-80-1 3,5-Difluorophenylacetic acid105184-38-1 Methyl 2,4-difluorobenzoate106614-28-2 2,4-Difluoro-3-methylbenzoic acid112857-68-8 Methyl 2,6-difluorobenzoate13671-00-6 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one140675-42-9 2,3-Difluorobenzeneacetic acid145689-41-4

Elsewhere

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