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4,6-Dibenzoylresorcinol

4,6-Dibenzoylresorcinol structure

CAS No:
3088-15-1
Formula:
C20H14O4
Chemical Name:
4,6-Dibenzoylresorcinol
Synonyms:
Methanone,1,1′-(4,6-dihydroxy-1,3-phenylene)bis[1-phenyl-;Resorcinol,4,6-dibenzoyl-;Methanone,(4,6-dihydroxy-1,3-phenylene)bis[phenyl-;1,1′-(4,6-Dihydroxy-1,3-phenylene)bis[1-phenylmethanone];4,6-Dibenzoylresorcinol;5-Benzoyl-2,4-dihydroxybenzophenone;1,3-Dibenzoyl-4,6-dihydroxybenzene;(4,6-dihydroxy-1,3-phenylene)bis(phenylmethanone)
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4,6-Dibenzoylresorcinol Basic Attributes

Molecular Weight：

318.328

Exact Mass：

318.32

UNII：

EZ144MXH9V

DSSTox ID：

DTXSID0062842

HScode：

2914400090

Characteristics

PSA：

74.6

XLogP3：

3.55980

Density：

1.312g/cm3

Melting Point：

151 °C @ Solvent: Ethanol

Boiling Point：

549.6ºC at 760mmHg

Flash Point：

300.2ºC

Refractive Index：

1.66

Safety Information

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H400

GHS Classification：

|Warning|H315 (16.67%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4,6-Dibenzoylresorcinol Use and Manufacturing

Manufacturing Info：

Methanone, 1,1'-(4,6-dihydroxy-1,3-phenylene)bis[1-phenyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:318.3
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:318.08920892
Monoisotopic Mass:318.08920892
Topological Polar Surface Area:74.6
Heavy Atom Count:24
Complexity:409
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes