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63419-72-7 molecular structure
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(15N)carbononitridic bromide

ChemBase ID: 134898
Molecular Formular: CBrN
Molecular Mass: 106.9148089
Monoisotopic Mass: 105.9184459
SMILES and InChIs

SMILES:
C(#[15N])Br
Canonical SMILES:
BrC#[15N]
InChI:
InChI=1S/CBrN/c2-1-3/i3+1
InChIKey:
ATDGTVJJHBUTRL-LBPDFUHNSA-N

Cite this record

CBID:134898 http://www.chembase.cn/molecule-134898.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(15N)carbononitridic bromide
IUPAC Traditional name
(15N)carbononitridic bromide
Synonyms
Cyanogen-15N bromide
溴化氰-15N
CAS Number
63419-72-7
MDL Number
MFCD00190521
PubChem SID
162229174
PubChem CID
71308971

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
588709 external link Add to cart Please log in.
Data Source Data ID
PubChem 71308971 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)
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
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
1889 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
26/27/28-34-50/53 expand Show data source
Safety Statements
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-H400 expand Show data source
GHS Precautionary statements
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
RID/ADR
UN 1889 6.1/PG 1 expand Show data source
Purity
97% (CP) expand Show data source
Isotopic Purity
98 atom % 15N expand Show data source
Mol. Weight
mol wt 106.91 by atom % calculation expand Show data source
Linear Formula
BrC15N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 588709 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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