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72802-79-0 molecular structure
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tetrabromo(13C)methane

ChemBase ID: 147897
Molecular Formular: CBr4
Molecular Mass: 332.61935484
Monoisotopic Mass: 328.67670284
SMILES and InChIs

SMILES:
[13C](Br)(Br)(Br)Br
Canonical SMILES:
Br[13C](Br)(Br)Br
InChI:
InChI=1S/CBr4/c2-1(3,4)5/i1+1
InChIKey:
HJUGFYREWKUQJT-OUBTZVSYSA-N

Cite this record

CBID:147897 http://www.chembase.cn/molecule-147897.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrabromo(13C)methane
IUPAC Traditional name
tetrabromo(13C)methane
Synonyms
Carbon-13C tetrabromide
四溴化碳-13C
CAS Number
72802-79-0
MDL Number
MFCD00083916
PubChem SID
162242078
24872397
PubChem CID
12253231

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
488461 external link Add to cart Please log in.
Data Source Data ID
PubChem 12253231 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 3.5968134 
LogD (pH = 7.4) 3.5968134  Log P 3.5968134 
Molar Refractivity 2.3038 cm3 Polarizability 15.332903 Å3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
88-90 °C(lit.) expand Show data source
Boiling Point
190 °C(lit.) expand Show data source
Density
3.43 g/mL expand Show data source
Mass Shift
M+1 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2516 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
3 expand Show data source
Risk Statements
22-37/38-41 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302 + H312-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
RID/ADR
UN 2516 6.1/PG 3 expand Show data source
Isotopic Purity
99 atom % 13C expand Show data source
Mol. Weight
mol wt 332.62 by atom % calculation expand Show data source
Linear Formula
13CBr4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 488461 external link
Packaging
500 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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