Diphenylacetic acid

C₁₄H₁₂O₂CAS 117-34-0212.25 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₄H₁₂O₂
Molar mass: 212.25 g/mol
Exact mass: 212.0837 Da
Melting point: 147 °C
Boiling point: 114 °C (at 0.05 Torr)
logP: 2.90Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed52.2% of notifiers
H311 Toxic in contact with skin34.8% of notifiers
H315 Causes skin irritation95.7% of notifiers
H319 Causes serious eye irritation65.2% of notifiers
H331 Toxic if inhaled34.8% of notifiers
H332 Harmful if inhaled34.8% of notifiers
H335 May cause respiratory irritation26.1% of notifiers
H400 Very toxic to aquatic life34.8% of notifiers

Aggregated from 23 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

117-34-0

SMILES

O=C(O)C(c1ccccc1)c1ccccc1

InChIKey

PYHXGXCGESYPCW-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)

Weigh it out

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

Names and synonyms

8 names

Benzeneacetic acid, α-phenyl-
Acetic acid, diphenyl-
α-Phenylbenzeneacetic acid
α,α-Diphenylacetic acid
2,2-Diphenylacetic acid
Diphenylethanoic acid
NSC 120417
NSC 8742

Reactions

DIPHENYLACETIC ACID (Acetic acid, diphenyl-)product

Work with Diphenylacetic acid

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

Phenylmalonic acid2613-89-068 % similar (S)-Mandelic acid17199-29-063 % similar Chloro(phenyl)acetic acid4755-72-063 % similar (-)-Mandelic acid611-71-263 % similar Mandelic acid611-72-363 % similar Mandelic acid90-64-263 % similar Fluorophenylacetic acid1578-63-861 % similar Phenylglycine2835-06-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-7 Benzoin (organic compound)119-53-9 Benzyl benzoate120-51-4 3-(2-Methoxyphenyl)benzaldehyde122801-57-4 3-(3-Methoxyphenyl)benzaldehyde126485-58-3 2-Hydroxy-5-methylbenzophenone1470-57-1 4'-Methylbiphenyl-3-carboxylic acid147404-69-1 p-Phenylphenyl acetate148-86-7

Elsewhere

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