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385812-51-1 molecular structure
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sodium tetrakis(4-fluorophenyl)boranuide hydrate

ChemBase ID: 9808
Molecular Formular: C24H18BF4NaO
Molecular Mass: 432.1935028
Monoisotopic Mass: 432.12845276
SMILES and InChIs

SMILES:
[B-](c1ccc(cc1)F)(c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F.[Na+].O
Canonical SMILES:
Fc1ccc(cc1)[B-](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F.O.[Na+]
InChI:
InChI=1S/C24H16BF4.Na.H2O/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;;/h1-16H;;1H2/q-1;+1;
InChIKey:
YNVHZVITHIOAMT-UHFFFAOYSA-N

Cite this record

CBID:9808 http://www.chembase.cn/molecule-9808.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium tetrakis(4-fluorophenyl)boranuide hydrate
IUPAC Traditional name
sodium tetrakis(4-fluorophenyl)boranuide hydrate
Synonyms
Sodium tetrakis(4-fluorophenyl)borate hydrate
Sodium tetrakis(4-fluorophenyl)borate hydrate 98%
CAS Number
385812-51-1
25776-12-9
MDL Number
MFCD00010732
MFCD02183482
PubChem SID
160973115
PubChem CID
44890704

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44890704 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.4668  LogD (pH = 7.4) 6.4668 
Log P 6.4668  Molar Refractivity 102.7628 cm3
Polarizability 40.165684 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT, HYGROSCOPIC expand Show data source
Irritant/Hygroscopic/Keep Cold/Store under Argon expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC3241 external link
Nonionic surfactant

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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