Home > Compound List > Compound details
1121-53-5 molecular structure
click picture or here to close

sodium phenylmethanide

ChemBase ID: 108439
Molecular Formular: C7H7Na
Molecular Mass: 114.12025
Monoisotopic Mass: 114.04454451
SMILES and InChIs

SMILES:
[Na+].[CH2-]c1ccccc1
Canonical SMILES:
[CH2-]c1ccccc1.[Na+]
InChI:
InChI=1S/C7H7.Na/c1-7-5-3-2-4-6-7;/h2-6H,1H2;/q-1;+1
InChIKey:
OWMHBKYAOYHOQK-UHFFFAOYSA-N

Cite this record

CBID:108439 http://www.chembase.cn/molecule-108439.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium phenylmethanide
IUPAC Traditional name
potassium phenylmethanide
Synonyms
BENZYL SODIUM 25% SOLUTION IN HEPTANE
CAS Number
1121-53-5
EC Number
214-332-0
PubChem SID
162095483
PubChem CID
11789171

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05207359 external link Add to cart Please log in.
Data Source Data ID
PubChem 11789171 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9883377  LogD (pH = 7.4) -0.9883377 
Log P 2.4866672  Molar Refractivity 31.069 cm3
Polarizability 12.316891 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Flammable Flammable (F) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:11 expand Show data source
Safety Statements
S:9-16-29 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05207359 external link
MP Biomedicals Rare Chemical collection

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