Grundinformationen
- Standard-SMILES
O=P(O)(Oc1ccccc1)Oc1ccccc1- InChIKey
ASMQGLCHMVWBQR-UHFFFAOYSA-N- Summenformel
- C12H11O4P
- Durchschnittliche Molmasse
- 250,19 g/mol
- Monoisotopische Masse
- 250,03949583
Namen und Bezeichner
- Bevorzugter Name
- Phosphoric acid, diphenyl ester
- IUPAC
- diphenyl hydrogen phosphate
- Lokaler Name
- Diphenylhydrogenphosphat
- Englischer Name
- Diphenyl phosphate
- Summenformel
- C12H11O4P
- Molmasse
- 250.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
53396-64-8、838-85-7- PubChem CID
- 13282
- DTXSID
DTXSID1048207- ChEMBL
CHEMBL3186576- ChEBI
CHEBI:166468- UNII
- PR9H42V2X6
- EC Number
- 212-657-2
- Nikkaji
- J32.756E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 55,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 246
Experimentelle und physikochemische Eigenschaften
Collision Cross Section
153.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1048207];156.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1048207]
164.38 Ų [M+Na]+;152.82 Ų [M-H]-;157.41 Ų [M+H]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 62 · 62-66 °C (lit.)
- Siedepunkt
- 280 °C · 280°C
- Dichte
- 0 · 0,76 g/cm3
- Brechungsindex
- 1.625 · 1.6250
- Flammpunkt
- 4 °C · 4°C
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Crystalline Powder
- pka
- 1.12 · 1.12±0.50(Predicted)
- Farbe
- White
- Wasserlöslichkeit
- Soluble in benzene. Insoluble in water.
- BRN
- 1379164 · 1379164
- InChI
- 1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
- InChIKey
- ASMQGLCHMVWBQR-UHFFFAOYSA-N
- SMILES
- OP(=O)(Oc1ccccc1)Oc2ccccc2
- CAS Datenbank
- 838 · 838-85-7(CAS DataBase Reference)
- EPA chemische Informationen
- Diphenyl phosphate (838-85-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 42.2% (27 of 64) of reports.
Danger
H314 (54.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (28.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 27 of 64 reports by companies.;There are 5 notifications provided by 37 of 64 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Phosphoric acid, diphenyl ester
Hazard Traits - Neurotoxicity; Reproductive Toxicity;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient
Phosphoric acid, diphenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, diphenyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Phosphoric acid, diphenyl ester: 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.
Regulatorische Informationen
Regulatory Information
Chemical: Phosphoric acid, diphenyl ester
Hazard Traits - Neurotoxicity; Reproductive Toxicity;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient
Phosphoric acid, diphenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, diphenyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Phosphoric acid, diphenyl ester: 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.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29190090
- RTECS-Nr.
- TC5470000
- risk_code
- 36/37/38
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Paint and Coating Manufacturing
Phosphoric acid, diphenyl ester: ACTIVE
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: Diphenyl phosphate is an aryl phosphate and metabolite of the flame retardant Triphenyl Phosphate and also a metabolite of 2-Ethylhexyl diphenyl phosphate.
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