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25909-68-6 molecular structure
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potassiumcarbonitrile

ChemBase ID: 138160
Molecular Formular: CKN
Molecular Mass: 66.10835484
Monoisotopic Mass: 65.97013552
SMILES and InChIs

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

Cite this record

CBID:138160 http://www.chembase.cn/molecule-138160.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassiumcarbonitrile
IUPAC Traditional name
zyankali
Synonyms
13C Labeled potassium cyanide
13C labeled KCN
Potassium cyanide-13C
氰化钾-13C
CAS Number
25909-68-6
MDL Number
MFCD00064506
Beilstein Number
3535479
PubChem SID
162232418
24857894
PubChem CID
11789121

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
297038 external link Add to cart Please log in.
Data Source Data ID
PubChem 11789121 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.0901  LogD (pH = 7.4) 0.0901 
Log P 0.0901  Molar Refractivity 6.6556 cm3
Polarizability 4.733503 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
>300 °C(lit.) 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
1680 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
1 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
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1680 6.1/PG 1 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 66.10 by atom % calculation expand Show data source
Linear Formula
K13CN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 297038 external link
Packaging
1 g in glass bottle
250 mg 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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