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70610-98-9 molecular structure
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(13C)carbononitridic bromide

ChemBase ID: 135168
Molecular Formular: CBrN
Molecular Mass: 106.91405484
Monoisotopic Mass: 105.92476584
SMILES and InChIs

SMILES:
[13C](#N)Br
Canonical SMILES:
Br[13C]#N
InChI:
InChI=1S/CBrN/c2-1-3/i1+1
InChIKey:
ATDGTVJJHBUTRL-OUBTZVSYSA-N

Cite this record

CBID:135168 http://www.chembase.cn/molecule-135168.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(13C)carbononitridic bromide
IUPAC Traditional name
(13C)carbononitridic bromide
Synonyms
Cyanogen bromide-13C
Bromine Monocyanide-13C
Bromocyan-13C
Bromocyanide-13C
Bromocyanogen-13C
Campilit-13C
NSC 89684-13C
Cyanogen Bromide-13C
溴氰-13C
CAS Number
70610-98-9
MDL Number
MFCD00190296
PubChem SID
162229443
PubChem CID
71309125

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71309125 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.675621  LogD (pH = 7.4) 0.675621 
Log P 0.675621  Molar Refractivity 15.3908 cm3
Polarizability 5.6303854 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)
Solubility
Toluene expand Show data source
Apperance
White Solid expand Show data source
Melting Point
50-53 °C(lit.) expand Show data source
Boiling Point
61-62 °C expand Show data source
Mass Shift
M+1 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
26/27/28-32-34-50/53 expand Show data source
Safety Statements
26-28-36/37/39-45-60-61 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300 +H310 + H330-H314-H410 expand Show data source
GHS Precautionary statements
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
Supplemental Hazard Statements
Contact with acids liberates very toxic gas. expand Show data source
Purity
97% (CP) expand Show data source
Isotopic Purity
99 atom % 13C expand Show data source
Certificate of Analysis
Download expand Show data source
Mol. Weight
mol wt 106.90 by atom % calculation expand Show data source
Linear Formula
Br13CN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 604550 external link
Packaging
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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