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2622-08-4 molecular structure
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tris(2-methylphenyl) phosphite

ChemBase ID: 108100
Molecular Formular: C21H21O3P
Molecular Mass: 352.363401
Monoisotopic Mass: 352.12283116
SMILES and InChIs

SMILES:
Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C
Canonical SMILES:
Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C
InChI:
InChI=1S/C21H21O3P/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKey:
BKHZQJRTFNFCTG-UHFFFAOYSA-N

Cite this record

CBID:108100 http://www.chembase.cn/molecule-108100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(2-methylphenyl) phosphite
IUPAC Traditional name
tris(2-methylphenyl) phosphite
Synonyms
Tri-o-cresyl phosphite
Tris(2-tolyl)phosphite
Tri(o-tolyl) phosphite
TRI-2-TOLYLPHOSPHITE
三(2-甲苯)膦
CAS Number
2622-08-4
EC Number
220-068-7
MDL Number
MFCD00014911
PubChem SID
162106101
PubChem CID
92937

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 92937 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.3526  LogD (pH = 7.4) 7.3526 
Log P 7.3526  Molar Refractivity 102.4331 cm3
Polarizability 39.551624 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Boiling Point
200-202°C/2.4-2.6mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
TH1050000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
typically C 71%, H 6% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05206084 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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