2,2'-Dihydroxybenzophenon

2,2'-Dihydroxybenzophenone

HCID 70038CAS 835-11-0

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Grundinformationen

Standard-SMILES: O=C(c1ccccc1O)c1ccccc1O
InChIKey: YIYBRXKMQFDHSM-UHFFFAOYSA-N
Summenformel: C13H10O3
Durchschnittliche Molmasse: 214,22 g/mol
Monoisotopische Masse: 214,06299418

Überblick

2,2'-Dihydroxybenzophenone is a member of benzophenones.

Namen und Bezeichner

Bevorzugter Name: 2,2'-Dihydroxybenzophenone
IUPAC: bis(2-hydroxyphenyl)methanone
Lokaler Name: 2,2'-Dihydroxybenzophenon
Englischer Name: 2,2'-Dihydroxybenzophenone
Summenformel: C13H10O3
Molmasse: 214.22

Namen und Synonyme

2,2'-Dihydroxybenzophenone835-11-0Methanone, bis(2-hydroxyphenyl)-Benzophenone, 2,2'-dihydroxy-DTXSID8022404EINECS 212-639-4ET2N90CP6CC14284bis(2-hydroxyphenyl) ketoneJ133.560JDTXCID602404RefChem:440274

Weitere Namen anzeigen

AURORA KA-4852,2'-Dihydroxybenzophenone >2,2'-Dihydroxybenzophenone 98%Methanone,bis(2-hydroxyphenyl)-Bis-(2-hydroxy-phenyl)-methanone2,2'-dihydroxydibenzenemethylone

212-639-4'2,2'-dihydroxybenzophenoneBis(2-hydroxyphenyl)methanone2,2-DIHYDROXYBENZOPHENONE2,2'-dihydroxy benzophenoneMFCD000022172-(2-hydroxybenzoyl)phenol22'-Dihydroxybenzophenone

Datenbank-Bezeichner

CAS: 835-11-0
PubChem CID: 70038
DTXSID: DTXSID8022404
ChEMBL: CHEMBL124241
ChEBI: CHEBI:34209
UNII: ET2N90CP6C
EC Number: 212-639-4
Nikkaji: J133.560J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 228

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

LogP2.66

Physikochemische Eigenschaften

Schmelzpunkt: 61 · 61-62.5 °C(lit.)
Siedepunkt: 333 °C · 333°C (estimate)
Dichte: 1.1956 · 1.1956 (rough estimate)
Brechungsindex: 1.509 · 1.5090 (estimate)
storage temp.: RT, stored under nitrogen
Löslichkeit: almost transparency in Methanol
Aggregatzustand: powder to crystal
pka: 7.32 · 7.32±0.30(Predicted)
Farbe: Light yellow to Yellow to Green
InChI: InChI=1S/C13H10O3/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,14-15H
InChIKey: YIYBRXKMQFDHSM-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1O)(C1=CC=CC=C1O)=O
CAS Datenbank: 835 · 835-11-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2914.50.3000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Darstellung

synthetischePreparation by diazotization of 4,4′-diamino-2,2′- di-hydroxybenzophenone in diluted hydrochloric acid, followed by treatment with 50% phosphorous acid at 0° for 1 h, then at r.t. for 24 h (34%).