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28170-07-2 molecular structure
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benzyl phenyl carbonate

ChemBase ID: 139637
Molecular Formular: C14H12O3
Molecular Mass: 228.24328
Monoisotopic Mass: 228.07864424
SMILES and InChIs

SMILES:
c1ccc(cc1)COC(=O)Oc1ccccc1
Canonical SMILES:
O=C(Oc1ccccc1)OCc1ccccc1
InChI:
InChI=1S/C14H12O3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey:
SNGLYCMNDNOLOF-UHFFFAOYSA-N

Cite this record

CBID:139637 http://www.chembase.cn/molecule-139637.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl phenyl carbonate
IUPAC Traditional name
benzyl phenyl carbonate
Synonyms
Benzyl phenyl carbonate
苄基苯基碳酸酯
CAS Number
28170-07-2
MDL Number
MFCD07784341
PubChem SID
162233885
24882326
PubChem CID
11183772

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
630640 external link Add to cart Please log in.
Data Source Data ID
PubChem 11183772 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.924271  LogD (pH = 7.4) 3.924271 
Log P 3.924271  Molar Refractivity 63.4266 cm3
Polarizability 25.033136 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
120-130 °C/0.5 mmHg(lit.) expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Density
1.156 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.5490(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
41-43 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H317-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
Linear Formula
C6H5CH2OCO2C6H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 630640 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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