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13685-24-0 molecular structure
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chlorobis[4-(trifluoromethyl)phenyl]phosphane

ChemBase ID: 296086
Molecular Formular: C14H8ClF6P
Molecular Mass: 356.6305002
Monoisotopic Mass: 355.99563389
SMILES and InChIs

SMILES:
c1cc(ccc1C(F)(F)F)P(c1ccc(cc1)C(F)(F)F)Cl
Canonical SMILES:
ClP(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
InChI:
InChI=1S/C14H8ClF6P/c15-22(11-5-1-9(2-6-11)13(16,17)18)12-7-3-10(4-8-12)14(19,20)21/h1-8H
InChIKey:
PBLUOOURLNAOAJ-UHFFFAOYSA-N

Cite this record

CBID:296086 http://www.chembase.cn/molecule-296086.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chlorobis[4-(trifluoromethyl)phenyl]phosphane
IUPAC Traditional name
chlorobis[4-(trifluoromethyl)phenyl]phosphane
Synonyms
Bis[4-(trifluoromethyl)phenyl]chlorophosphine
Chlorobis[4-(trifluoromethyl)phenyl]phosphine
氯二[4-(三氟甲基)苯基]膦
CAS Number
13685-24-0
EC Number
000-000-0
MDL Number
MFCD04972304
PubChem SID
180681617
PubChem CID
4379933

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 4379933 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.9045  LogD (pH = 7.4) 5.9045 
Log P 5.9045  Molar Refractivity 74.2323 cm3
Polarizability 26.970255 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
110°C/0.4mm expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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