Diphenylacetaldehyde

C₁₄H₁₂OCAS 947-91-1196.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂O
Molar mass: 196.25 g/mol
Exact mass: 196.0888 Da
Density: 1.116 g/mL (at 0 °C)
Melting point: 50 °C
Boiling point: 170–175 °C (at 15 Torr)
logP: 3.02Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

947-91-1

SMILES

O=CC(c1ccccc1)c1ccccc1

InChIKey

HLLGFGBLKOIZOM-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H

Weigh it out

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

Names and synonyms

8 names

Benzeneacetaldehyde, α-phenyl-
Acetaldehyde, diphenyl-
α-Phenylbenzeneacetaldehyde
2,2-Diphenylacetaldehyde
α,α-Diphenylacetaldehyde
2,2-Diphenylethanal
NSC 21645
2,2-Bisphenyl acetaldehyde

Reactions

DIPHENYLACETALDEHYDE (Acetaldehyde, diphenyl-)product

Work with Diphenylacetaldehyde

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-Phenylpropanal34713-70-756 % similar 2-Phenylpropanal93-53-856 % similar (Difluoromethyl)benzene455-31-243 % similar Triphenylmethane519-73-343 % similar Methyl formylphenylacetate5894-79-142 % similar 3-Phenyl-2H-azirene-2-carbaldehyde42970-55-840 % similar 2-Methyl-3-phenylpropionaldehyde5445-77-240 % similar Diphenylformamide607-00-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2′-Methyl[1,1′-biphenyl]-4-carboxaldehyde108934-21-0 3-(4-Methylphenyl)benzaldehyde116470-54-3 2-Methylbenzophenone131-58-8 4-Methylbenzophenone134-84-9 trans-Stilbene oxide1439-07-2 3-(3-Methylphenyl)benzaldehyde216443-78-6 Fluorene-9-methanol24324-17-2 4'-Methylbiphenyl-4-carbaldehyde36393-42-7

Elsewhere

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