1-Benzyl-5-phenylbarbitursure

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1-(phenylmethyl)-

HCID 166340CAS 72846-00-5
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
O=C1NC(=O)N(Cc2ccccc2)C(=O)C1c1ccccc1
InChIKey
KCWWCWMGJOWTMY-UHFFFAOYSA-N
Summenformel
C17H14N2O3
Durchschnittliche Molmasse
294,3 g/mol
Monoisotopische Masse
294,10044231

Namen und Bezeichner

Bevorzugter Name
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1-(phenylmethyl)-
IUPAC
1-benzyl-5-phenyl-1,3-diazinane-2,4,6-trione
Lokaler Name
1-Benzyl-5-phenylbarbitursure
Englischer Name
1-Phenylmethyl-5-phenyl-barbituric acid
Summenformel
C17H14N2O3
Molmasse
294.3

Namen und Synonyme

1-Benzyl-5-phenylbarbituric acid72846-00-52,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1-(phenylmethyl)-EINECS 276-940-2DTXSID10888290RefChem:442825DTXCID201027570276-940-21-benzyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trioneBenzyl-5-phenylbarbituric acid1-benzyl-5-phenyl-1,3-diazinane-2,4,6-trioneMFCD00082750
Weitere Namen anzeigen
LABOTEST-BB LT00454619Barbituric Acid Impurity 45-Phenyl-1-benzylbarbituric acid1-Benzyl-5-phenyl-1-barbituric acid1-Benzyl-5-phenylbarbituric Acid >SODIUM1-BENZYL-5-PHENYLBARBITURICACID1-Benzyl-5-phenylbarbituric acid, 98+%
5-phenyl-1-benzyl-1,3,5-trihydropyrimidine-2,4,6-trione1-Phenylmethyl-5-phenyl-barbituric acidSCHEMBL669991-benzyl-5-phenylbarbiturate1-benzyl-5-phenyl-hexahydropyrimidine-2,4,6-trioneSCHEMBL16592581SBB057920AKOS015889672

Datenbank-Bezeichner

CAS
72846-00-5
PubChem CID
166340
DTXSID
DTXSID10888290
EC Number
276-940-2
Nikkaji
J318.872H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
66,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
22

Physikochemische Eigenschaften

Schmelzpunkt
163 · 163-165°C
Dichte
1.304 · 1.304±0.06 g/cm3(Predicted)
pka
4.29 · 4.29±0.20(Predicted)
Wasserlöslichkeit
Soluble in acetone. Slightly soluble in water.
InChI
InChI=1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20,22)
InChIKey
KCWWCWMGJOWTMY-UHFFFAOYSA-N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 11.1% (5 of 45) of reports.

Danger

H301 (84.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 08-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27566

1-Benzyl-5-phenylbarbituric acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (84.4%)

Sicherheitsdaten

tsca
TSCA listed
risk_code
25
hazard_code
T
safety_code
22-24/25-45

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1-(phenylmethyl)-: ACTIVE

Anwendungen

Verwenden1-Benzyl-5-phenylbarbituric acid is useful as a pharmaceutical intermediate in organic synthesis.

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

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