Diphenyl carbonate

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Catalog Number
ACM102090
Product Name
Diphenyl carbonate
Structure
Structure
CAS
102-09-0
Category
Heterocyclic Organic Compound
IUPAC Name
diphenyl carbonate
Molecular Weight
214.22g/mol
Molecular Formula
C13H10O3
Canonical SMILES
C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
InChI Key
ROORDVPLFPIABK-UHFFFAOYSA-N
Boiling Point
306.0 °C;302-306 °C
Melting Point
83.0 °C;80-81 °C
Density
1.1215 @ 87 °C/4 °C
Solubility
Practically insol in water; sol in hot alc, benzene, ether, glacial acetic acid;SOL IN ACETONE, CARBON TETRACHLORIDE, OTHER ORG SOLVENTS
Color/Form
Lustrous needles;WHITE, CRYSTALLINE SOLID
Complexity
193
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomposition it emits acrid smoke and irritating fumes.
EC Number
203-005-8
Exact Mass
214.062994g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
16
LogP
3.28 (LogP);log Kow= 3.28
Monoisotopic Mass
214.062994g/mol
NSC Number
37087
Other Experimental
CAN BE HALOGENATED & NITRATED IN CHARACTERISTIC MANNER; READILY UNDERGOES HYDROLYSIS & AMMONOLYSIS
Rotatable Bond Count
4
UNII
YWV401IDYN
Vapor Pressure
1.50e-04 mmHg
XLogP3
3.3
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