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24932-48-7 molecular structure
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1,2-dibromo-4,5-dimethylbenzene

ChemBase ID: 10001
Molecular Formular: C8H8Br2
Molecular Mass: 263.95712
Monoisotopic Mass: 261.89927426
SMILES and InChIs

SMILES:
c1(c(cc(c(c1)C)C)Br)Br
Canonical SMILES:
Cc1cc(Br)c(cc1C)Br
InChI:
InChI=1S/C8H8Br2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,1-2H3
InChIKey:
BCIDDURGCAHERU-UHFFFAOYSA-N

Cite this record

CBID:10001 http://www.chembase.cn/molecule-10001.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromo-4,5-dimethylbenzene
IUPAC Traditional name
1,2-dibromo-4,5-dimethylbenzene
Synonyms
1,2-Dibromo-4,5-dimethylbenzene
4,5-Dibromo-o-xylene
1,2-Dibromo-4,5-dimethylbenzene
4,5-Dibromo-1,2-dimethylbenzene
4,5-Dibromo-o-xylene
4,5-Dibromo-o-xylene
1,2-Dibromo-4,5-dimethylbenzene 98+%
4,5-二溴--邻二甲苯
1,2-二溴-4,5-二甲苯
4,5-二溴-o-二甲苯
CAS Number
24932-48-7
EC Number
000-000-0
MDL Number
MFCD00082743
Beilstein Number
2206183
PubChem SID
24882939
160973308
PubChem CID
34347

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.537594  LogD (pH = 7.4) 4.537594 
Log P 4.537594  Molar Refractivity 51.386 cm3
Polarizability 19.606804 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
85-87°C expand Show data source
85-87°C expand Show data source
85-89 °C(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H413 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C8H8Br2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 638447 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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