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256926-87-1 molecular structure
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(2-benzoylphenyl)dicyclohexylphosphane

ChemBase ID: 142837
Molecular Formular: C25H31OP
Molecular Mass: 378.486801
Monoisotopic Mass: 378.21125224
SMILES and InChIs

SMILES:
c1ccc(cc1)C(=O)c1ccccc1P(C1CCCCC1)C1CCCCC1
Canonical SMILES:
O=C(c1ccccc1P(C1CCCCC1)C1CCCCC1)c1ccccc1
InChI:
InChI=1S/C25H31OP/c26-25(20-12-4-1-5-13-20)23-18-10-11-19-24(23)27(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
InChIKey:
NFAAYQZZHNIMDJ-UHFFFAOYSA-N

Cite this record

CBID:142837 http://www.chembase.cn/molecule-142837.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-benzoylphenyl)dicyclohexylphosphane
IUPAC Traditional name
(2-benzoylphenyl)dicyclohexylphosphane
Synonyms
[2-(Dicyclohexylphosphino)phenyl]phenylmethanone
2-(Dicyclohexylphosphino)benzophenone
2-(二环己基膦)二苯甲酮
CAS Number
256926-87-1
MDL Number
MFCD11656164
PubChem SID
162237063
PubChem CID
53411822

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
697532 external link Add to cart Please log in.
Data Source Data ID
PubChem 53411822 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.2985144  LogD (pH = 7.4) 6.348937 
Log P 6.3498  Molar Refractivity 114.5732 cm3
Polarizability 45.39698 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
139-146 °C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
GHS Hazard statements
H413 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C25H31OP expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 697532 external link
Packaging
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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