diphenyl carbonate

• ChemBase ID: 77215
• Molecular Formular: C13H10O3
• Molecular Mass: 214.2167
• Monoisotopic Mass: 214.06299418
• SMILES: O(c1ccccc1)C(=O)Oc1ccccc1
• Canonical SMILES: O=C(Oc1ccccc1)Oc1ccccc1
• InChI: InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
• InChIKey: ROORDVPLFPIABK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl carbonate
• IUPAC Traditional name: diphenyl carbonate
• Synonyms: Phenyl carbonate; Diphenyl carbonate; Diphenylcarbonate; DIPHENYL CARBONATE; 碳酸二苯酯

Database IDs

• CAS Number: 102-09-0
• EC Number: 203-005-8
• MDL Number: MFCD00003037
• Beilstein Number: 1074863
• Merck Index: 143602
• PubChem SID: 24893613; 162042088
• PubChem CID: 7597
• Chemspider ID: 7315
• KEGG ID: C14507
• Unique Ingredient Identifier: YWV401IDYN
• Wikipedia Title: Diphenyl_carbonate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8577564
• LogD (pH = 7.4): 3.8577564
• Log P: 3.8577564
• Molar Refractivity: 58.5916 cm^3
• Polarizability: 23.172132 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water; soluble in ethanol, diethyl ether, carbon tetrachloride, acetic acid
• Melting Point: 76-81°C; 78 °C; 78°C; 79 - 82°C; 79-80 °C; 79-82 °C(lit.); 79-82°C; 83 °C
• Boiling Point: 301 °C at 1013 hPa; 301°C; 301-302 °C(lit.); 301-302°C; 301-302°C; 306 °C
• Flash Point: 168 °C (closed cup); 168 °C; 168°C(334°F); 334.4 °F
• Density: 1.1215 g/cm^3 at 87 °C; 1.27 g/cm^3 at 14 °C; 1.300
• Vapor Pressure: .0000365 hPa at 20 °C
• Hydrophobicity(logP): 3.7

Safety Information

• Storage Condition: 2-8°C
• RTECS: FG0500000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22
• Safety Statements: 22-24/25; 36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... EPHX2(2053)mouse ... Ephx2(13850)

Product Information

• Purity: ≥99.0% (GC); 95%; 98%; 99%
• Grade: puriss.; ReagentPlus®
• Linear Formula: (C6H5O)2CO

DETAILS

MP Biomedicals - 02157863

Purity: 99%

MP Biomedicals - 05213242

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D206539

Packaging
1 kg in poly bottle
100 g in poly bottle
Legal Information
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