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1530-33-2 molecular structure
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triphenyl(propan-2-yl)phosphanium bromide

ChemBase ID: 85342
Molecular Formular: C21H22BrP
Molecular Mass: 385.277141
Monoisotopic Mass: 384.06424933
SMILES and InChIs

SMILES:
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C(C)C.[Br-]
Canonical SMILES:
CC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Br-]
InChI:
InChI=1S/C21H22P.BrH/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1
InChIKey:
HSOZCYIMJQTYEX-UHFFFAOYSA-M

Cite this record

CBID:85342 http://www.chembase.cn/molecule-85342.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triphenyl(propan-2-yl)phosphanium bromide
IUPAC Traditional name
isopropyltriphenylphosphanium bromide
Synonyms
Triphenyl(propan-2-yl)phosphonium bromide
Isopropyl(triphenyl)phosphonium bromide
Isopropyltriphenylphosphonium Bromide
(1-Methylethyl)triphenyl-phosphonium Bromide
(1-Methylethyl)triphenylphosphonium Bromide
NSC 113130
2-Propyltriphenylphosphonium Bromide
CAS Number
1530-33-2
MDL Number
MFCD00064807
PubChem SID
162072458
PubChem CID
2795292

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2795292 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.297396  LogD (pH = 7.4) 5.297396 
Log P 5.297396  Molar Refractivity 96.4378 cm3
Polarizability 38.127544 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)
Solubility
Methanol expand Show data source
Apperance
WHite Solid expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P838335 external link
Shows antiviral activity.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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