Grundinformationen
- CAS
1470-79-7- Standard-SMILES
O=C(c1ccc(O)cc1)c1ccc(O)cc1O- InChIKey
OKJFKPFBSPZTAH-UHFFFAOYSA-N- Summenformel
- C13H10O4
- Durchschnittliche Molmasse
- 230,22 g/mol
- Monoisotopische Masse
- 230,0579088
Namen und Bezeichner
- Bevorzugter Name
- 2,4,4'-Trihydroxybenzophenone
- IUPAC
- (2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
- Lokaler Name
- 2,4,4'-Trihydroxybenzophenon
- Englischer Name
- 2,4,4'-Trihydroxybenzophenone
- Summenformel
- C13H10O4
- Molmasse
- 230.22
Namen und Synonyme
2,4,4'-Trihydroxybenzophenone1470-79-7METHANONE, (2,4-DIHYDROXYPHENYL)(4-HYDROXYPHENYL)-Benzophenone, 2,4,4'-trihydroxy-DTXSID80448362,4-Dihydroxyphenyl p-hydroxybenzyl ketoneEINECS 216-004-2UNII-QP9121IG2SQP9121IG2SNSC-76052DTXCID6024836NSC 76052
Weitere Namen anzeigen
2,4,4'LABOTEST-BB LT00159581TRIHYDROXYBENZOPHENONE2,4,4'-Trihydroxybenzophenone >2,4,4'-Trihydroxybenzophenone,95%2,4,4-TRIHYDROXYBENZOPHENONE 98+%2,4,4'-Trihydroxybenzophenone 95%2,4,4'-trihydroxydibenzenemethylone
RefChem:81973216-004-2OKJFKPFBSPZTAH-UHFFFAOYSA-N(2,4-Dihydroxyphenyl)(4-hydroxyphenyl)methanone2,4,4-Trihydroxybenzophenone(2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone4-(4-hydroxybenzoyl)benzene-1,3-diolMFCD00002356
Datenbank-Bezeichner
- CAS
1470-79-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 77,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 271
Experimentelle und physikochemische Eigenschaften
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section152.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8044836]
Physikochemische Eigenschaften
- Schmelzpunkt
- 197 · 197-198 °C(lit.)
- Siedepunkt
- 332.2 °C · 332.2°C (rough estimate)
- Dichte
- 1.2683 · 1.2683 (rough estimate)
- Brechungsindex
- 1.4977 · 1.4977 (estimate)
- storage temp.
- RT, stored under nitrogen
- Wasserlöslichkeit
- Slightly soluble in water
- Aggregatzustand
- powder to crystal
- pka
- 7.59 · 7.59±0.35(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
- 26-36-24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2,4,4''-Trihydroxybenzophenone is a small molecule inhibitor of viral replication.
Darstellung
synthetischePreparation by reaction of 4-hydroxybenzoic acid with resorcinol, in the presence of zinc chloride at 160° (Nencki reaction); in the presence of zinc chloride and phosphorous oxychloride for 4 days at r.t. (78%);in the presence of zinc chloride and a mixture of polyphosphoric acid/85% phosphoric acid (60:40) at 27°. Then, during 2 h, phosphorous trichloride was added between 27° and 37° and the mixture heated at 60° for 16 h (quantitative yield); in the presence of hydrofluoric acid at 75° in an autoclave.
Anbieter63 Anbieter
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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