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90-96-0 molecular structure
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bis(4-methoxyphenyl)methanone

ChemBase ID: 89443
Molecular Formular: C15H14O3
Molecular Mass: 242.26986
Monoisotopic Mass: 242.09429431
SMILES and InChIs

SMILES:
O=C(c1ccc(cc1)OC)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)C(=O)c1ccc(cc1)OC
InChI:
InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
InChIKey:
RFVHVYKVRGKLNK-UHFFFAOYSA-N

Cite this record

CBID:89443 http://www.chembase.cn/molecule-89443.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(4-methoxyphenyl)methanone
IUPAC Traditional name
bis(4-methoxyphenyl)methanone
Synonyms
4,4'-Dimethoxybenzophenone
Bis(4-methoxyphenyl)methanone
Bis(4-methoxyphenyl)methanone
4,4`-Dimethoxybenzophenone 98%
4,4′-Dimethoxybenzophenone
4,4'-二甲氧基苯甲酮
4,4'-二甲氧基二苯甲酮
CAS Number
90-96-0
EC Number
202-028-0
MDL Number
MFCD00008404
Beilstein Number
1878026
PubChem SID
162076323
24848516
PubChem CID
7032

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1172564  LogD (pH = 7.4) 3.1172564 
Log P 3.1172564  Molar Refractivity 69.5599 cm3
Polarizability 27.010387 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)
Melting Point
141-143 °C(lit.) expand Show data source
141-143°C expand Show data source
142-146°C expand Show data source
Storage Warning
Irritant 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
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Linear Formula
(CH3OC6H4)2CO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 141984 external link
Packaging
25, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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