2,3,4-Trihydroxybenzophenone

C₁₃H₁₀O₄CAS 1143-72-2230.22 g/mol

Open in Covalent MOL file

Ketone Phenol

Properties

Molecular formula: C₁₃H₁₀O₄
Molar mass: 230.22 g/mol
Exact mass: 230.0579 Da
Melting point: 140 °C
logP: 2.03Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation98.1% of notifiers
H317 May cause an allergic skin reaction17.3% of notifiers
H318 Causes serious eye damage17.3% of notifiers
H319 Causes serious eye irritation82.7% of notifiers
H335 May cause respiratory irritation82.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects15.4% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1143-72-2

SMILES

O=C(c1ccccc1)c1ccc(O)c(O)c1O

InChIKey

HTQNYBBTZSBWKL-UHFFFAOYSA-N

InChI

InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H

Weigh it out

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

Names and synonyms

9 names

Methanone, phenyl(2,3,4-trihydroxyphenyl)-
Benzophenone, 2,3,4-trihydroxy-
Phenyl(2,3,4-trihydroxyphenyl)methanone
C.I. 57005
Alizarine yellow A
Alizarin yellow A
Gallobenzophenone
NSC 30665
PHF 005

Work with 2,3,4-Trihydroxybenzophenone

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

2,3,4,4′-Tetrahydroxybenzophenone31127-54-573 % similar Exifone52479-85-370 % similar 2-Hydroxybenzophenone117-99-763 % similar 4,6-Dibenzoylresorcinol3088-15-161 % similar 2,4-Dihydroxybenzophenone131-56-658 % similar Alizarin72-48-056 % similar 2-Hydroxy-5-methylbenzophenone1470-57-155 % similar 5-Bromo-2-hydroxybenzophenone55082-33-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,4'-Trihydroxybenzophenone1470-79-7 6-(Acetyloxy)-2-naphthalenecarboxylic acid17295-26-0 4,4'-Dihydroxy-biphenyl-2-carboxylic acid53197-57-2 Visnagin82-57-5

Elsewhere

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