2,2',4,4'-Tetrahydroxybenzophenone

C₁₃H₁₀O₅CAS 131-55-5246.22 g/mol

Open in Covalent MOL file

Ketone Phenol

Properties

Molecular formula: C₁₃H₁₀O₅
Molar mass: 246.22 g/mol
Exact mass: 246.0528 Da
Density: 1.21 g/mL (at 25 °C)
Melting point: 196–198 °C
Boiling point: 354 °C
Water solubility: 8.82 g/L (24.99 °C)
logP: 1.74Crippen estimate
Polar surface area: 98.0 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed96.4% of notifiers
H315 Causes skin irritation33.8% of notifiers
H317 May cause an allergic skin reaction32.1% of notifiers
H319 Causes serious eye irritation60.6% of notifiers
H335 May cause respiratory irritation32.6% of notifiers
H412 Harmful to aquatic life with long lasting effects26.5% of notifiers

Aggregated from 393 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

131-55-5

SMILES

O=C(c1ccc(O)cc1O)c1ccc(O)cc1O

InChIKey

WXNRYSGJLQFHBR-UHFFFAOYSA-N

InChI

InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H

Weigh it out

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

Names and synonyms

17 names · show all

2,2′,4,4′-Tetrahydroxybenzophenone
Methanone, bis(2,4-dihydroxyphenyl)-
Benzophenone, 2,2′,4,4′-tetrahydroxy-
Bis(2,4-dihydroxyphenyl)methanone
Uvinul D 50
2,4,2′,4′-Tetrahydroxybenzophenone
Benzophenone 2
T 0118
Sumisorb 150
Seesorb 106
Uvinul 3050
NSC 38556
2,2′,4,4′-Tetrahydroxy diphenyl ketone
Dainsorb P 6
SUV 1
BP 2
Eversorb 51

Work with 2,2',4,4'-Tetrahydroxybenzophenone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,4'-Trihydroxybenzophenone1470-79-779 % similar 2,4-Dihydroxybenzophenone131-56-673 % similar 2,6-Dihydroxyanthraquinone84-60-669 % similar 2,4-Dihydroxybenzoic acid89-86-166 % similar 2′,4′-Dihydroxyacetophenone89-84-963 % similar 2-Hydroxyanthraquinone605-32-362 % similar 2,7-Dihydroxyfluoren-9-one42523-29-561 % similar 2,4-Dihydroxybenzhydrazide13221-86-858 % similar

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

Same formula

3-(Benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid119736-16-2 Pimpinellin131-12-4 2,3,4,4′-Tetrahydroxybenzophenone31127-54-5 Isopimpinellin482-27-9 2,3',4,4'-Tetrahydroxybenzophenone61445-50-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook