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36321-73-0 molecular structure
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1,2-dibromo-3,4,5,6-tetramethylbenzene

ChemBase ID: 15956
Molecular Formular: C10H12Br2
Molecular Mass: 292.01028
Monoisotopic Mass: 289.93057438
SMILES and InChIs

SMILES:
c1(c(c(c(c(c1C)Br)Br)C)C)C
Canonical SMILES:
Cc1c(C)c(C)c(c(c1C)Br)Br
InChI:
InChI=1S/C10H12Br2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h1-4H3
InChIKey:
VEZJOZSIGSNYEB-UHFFFAOYSA-N

Cite this record

CBID:15956 http://www.chembase.cn/molecule-15956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromo-3,4,5,6-tetramethylbenzene
IUPAC Traditional name
1,2-dibromo-3,4,5,6-tetramethylbenzene
Synonyms
1,2-Dibromo-3,4,5,6-tetramethylbenzene
1,2-Dibromo-3,4,5,6-tetramethylbenzene
CAS Number
36321-73-0
MDL Number
MFCD00154987
PubChem SID
160979263
PubChem CID
2752606

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2752606 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.5644364  LogD (pH = 7.4) 5.5644364 
Log P 5.5644364  Molar Refractivity 61.4684 cm3
Polarizability 23.060825 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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