Home > Compound List > Compound details
93596-81-7 molecular structure
click picture or here to close

coppercarbonitrile

ChemBase ID: 145426
Molecular Formular: CCuN
Molecular Mass: 90.55605484
Monoisotopic Mass: 89.93602634
SMILES and InChIs

SMILES:
[13C](#N)[Cu]
Canonical SMILES:
[Cu][13C]#N
InChI:
InChI=1S/CN.Cu/c1-2;/i1+1;
InChIKey:
DULSAGLWMRMKCQ-YTBWXGASSA-N

Cite this record

CBID:145426 http://www.chembase.cn/molecule-145426.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
coppercarbonitrile
IUPAC Traditional name
cuprous cyanide
Synonyms
Copper(I) cyanide-13C
氰化铜(I)-13C
CAS Number
93596-81-7
MDL Number
MFCD00083928
PubChem SID
24866504
162239632
PubChem CID
12628443

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
423467 external link Add to cart Please log in.
Data Source Data ID
PubChem 12628443 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.0461  LogD (pH = 7.4) 0.0461 
Log P 0.0461  Molar Refractivity 6.6556 cm3
Polarizability 5.5687637 Å3 Polar Surface Area 23.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
454 °C(lit.) expand Show data source
Density
2.920 g/mL at 25 °C expand Show data source
Mass Shift
M+1 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
1587 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
26/27/28-32-50/53 expand Show data source
Safety Statements
7-28-29-45-60-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H310-H330-H410 expand Show data source
GHS Precautionary statements
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
RID/ADR
UN 1587 6.1/PG 2 expand Show data source
Supplemental Hazard Statements
Contact with acids liberates very toxic gas. expand Show data source
Isotopic Purity
99 atom % 13C expand Show data source
Mol. Weight
mol wt 90.55 by atom % calculation expand Show data source
Linear Formula
Cu13CN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 423467 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