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29949-64-2 molecular structure
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bis(2-methylphenyl)phosphane

ChemBase ID: 142659
Molecular Formular: C14H15P
Molecular Mass: 214.242661
Monoisotopic Mass: 214.09113711
SMILES and InChIs

SMILES:
Cc1ccccc1Pc1ccccc1C
Canonical SMILES:
Cc1ccccc1Pc1ccccc1C
InChI:
InChI=1S/C14H15P/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2/h3-10,15H,1-2H3
InChIKey:
QHRVFPPZMPHYHA-UHFFFAOYSA-N

Cite this record

CBID:142659 http://www.chembase.cn/molecule-142659.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(2-methylphenyl)phosphane
IUPAC Traditional name
bis(2-methylphenyl)phosphane
Synonyms
Bis(2-methylphenyl)phosphine
Di(o-tolyl)phosphine
二(邻甲苯基)膦
CAS Number
29949-64-2
MDL Number
MFCD05864006
PubChem SID
162236885
PubChem CID
4590856

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
710555 external link Add to cart Please log in.
Data Source Data ID
PubChem 4590856 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.1128  LogD (pH = 7.4) 4.1128 
Log P 4.1128  Molar Refractivity 67.031 cm3
Polarizability 26.240788 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
42-46 °C expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C14H15P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 710555 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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