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127711-64-2 molecular structure
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potassium dicyanocopperuide

ChemBase ID: 150362
Molecular Formular: C2CuKN2
Molecular Mass: 154.6791
Monoisotopic Mass: 153.89945219
SMILES and InChIs

SMILES:
C(#N)[Cu-]C#N.[K+]
Canonical SMILES:
N#C[Cu-]C#N.[K+]
InChI:
InChI=1S/2CN.Cu.K/c2*1-2;;/q;;-1;+1
InChIKey:
PACGVSFGQWSROQ-UHFFFAOYSA-N

Cite this record

CBID:150362 http://www.chembase.cn/molecule-150362.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium dicyanocopperuide
IUPAC Traditional name
potassium dicyanocopperuide
Synonyms
Potassium cyanocuprate(I)
亚铜氰化钾
CAS Number
127711-64-2
MDL Number
MFCD00050426
PubChem SID
162244523
24870651
PubChem CID
61666

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
470287 external link Add to cart Please log in.
Data Source Data ID
PubChem 61666 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.0642  LogD (pH = 7.4) -0.0642 
Log P -0.0642  Molar Refractivity 13.3112 cm3
Polarizability 7.641953 Å3 Polar Surface Area 47.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
granular expand Show data source
Melting Point
290 °C(lit.) expand Show data source
Density
4 g/mL at 25 °C(lit.) expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
UN Number
1679 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
20/21-28-52/53 expand Show data source
Safety Statements
22-36/37/39-45-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H312-H332 expand Show data source
GHS Precautionary statements
P264-P280-P301 + P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1679 6.1/PG 2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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