Home > Compound List > Compound details
81826-67-7 molecular structure
click picture or here to close

(13C)methyltriphenylphosphanium iodide

ChemBase ID: 149069
Molecular Formular: C19H18IP
Molecular Mass: 405.21710584
Monoisotopic Mass: 405.02244004
SMILES and InChIs

SMILES:
[13CH3][P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Canonical SMILES:
[13CH3][P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChI:
InChI=1S/C19H18P.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1/i1+1;
InChIKey:
JNMIXMFEVJHFNY-YTBWXGASSA-M

Cite this record

CBID:149069 http://www.chembase.cn/molecule-149069.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(13C)methyltriphenylphosphanium iodide
IUPAC Traditional name
(13C)methyltriphenylphosphanium iodide
Synonyms
Methyl-13C-triphenylphosphonium iodide
甲基-13C-三苯基碘化膦
CAS Number
81826-67-7
MDL Number
MFCD00011805
PubChem SID
24856857
162243237
PubChem CID
11014978

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
283002 external link Add to cart Please log in.
Data Source Data ID
PubChem 11014978 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.731569  LogD (pH = 7.4) 4.731569 
Log P 4.731569  Molar Refractivity 87.172 cm3
Polarizability 34.434486 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
186-188 °C(lit.) expand Show data source
Mass Shift
M+1 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Isotopic Purity
99 atom % 13C expand Show data source
Mol. Weight
mol wt 405.23 by atom % calculation expand Show data source
Linear Formula
13CH3P(C6H5)3I expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 283002 external link
Packaging
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle