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611-97-2 molecular structure
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bis(4-methylphenyl)methanone

ChemBase ID: 75422
Molecular Formular: C15H14O
Molecular Mass: 210.27106
Monoisotopic Mass: 210.10446507
SMILES and InChIs

SMILES:
O=C(c1ccc(cc1)C)c1ccc(cc1)C
Canonical SMILES:
O=C(c1ccc(cc1)C)c1ccc(cc1)C
InChI:
InChI=1S/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey:
ZWPWLKXZYNXATK-UHFFFAOYSA-N

Cite this record

CBID:75422 http://www.chembase.cn/molecule-75422.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(4-methylphenyl)methanone
IUPAC Traditional name
bis(4-methylphenyl)methanone
Synonyms
4,4′-Dimethylbenzophenone
Bis(4-methylphenyl)methanone
4,4'-Dimethylbenzophenone
4,4'-Dimethylbenzophenone
4,4′-二甲基二苯甲酮
4,4'-二甲基苯甲酮
CAS Number
611-97-2
EC Number
210-287-6
MDL Number
MFCD00017214
Beilstein Number
1240527
PubChem SID
162040340
24853487
PubChem CID
69148

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4594417  LogD (pH = 7.4) 4.4594417 
Log P 4.4594417  Molar Refractivity 66.7159 cm3
Polarizability 25.5622 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
90-93 °C(lit.) expand Show data source
91-93 °C expand Show data source
92-96°C expand Show data source
93-97°C expand Show data source
Boiling Point
200 °C/17 mmHg(lit.) expand Show data source
200°C/17mm expand Show data source
200°C/17mm expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (GC) expand Show data source
98+% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Linear Formula
(CH3C6H4)2CO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 225274 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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