Home > Compound List > Compound details
1074-24-4 molecular structure
click picture or here to close

1,4-dibromo-2,5-dimethylbenzene

ChemBase ID: 109672
Molecular Formular: C8H8Br2
Molecular Mass: 263.95712
Monoisotopic Mass: 261.89927426
SMILES and InChIs

SMILES:
Cc1cc(Br)c(C)cc1Br
Canonical SMILES:
Cc1cc(Br)c(cc1Br)C
InChI:
InChI=1S/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
InChIKey:
QENIALCDPFDFHX-UHFFFAOYSA-N

Cite this record

CBID:109672 http://www.chembase.cn/molecule-109672.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-dibromo-2,5-dimethylbenzene
IUPAC Traditional name
1,4-dibromo-2,5-dimethylbenzene
Synonyms
OMEGA, OMEGA'-DIBROMO-P-XYLENE
1,4-Dibromo-2,5-dimethylbenzene
1,4-Dibromo-2,5-dimethylbenzene
2,5-Dibromo-p-xylene
2,5-Dibromo-p-xylene
1,4-Dibromo-2,5-dimethylbenzene
2,5-二溴-对-二甲苯
2,5-二溴-对二甲苯
1,4-二溴-2,5-二甲基苯
CAS Number
1074-24-4
EC Number
214-038-2
MDL Number
MFCD00000091
Beilstein Number
2080433
PubChem SID
162088932
24847267
PubChem CID
66175

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 19.603764 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
72-74 °C(lit.) expand Show data source
72-74°C expand Show data source
Boiling Point
261 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
3077 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
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
36/37/38-51/53 expand Show data source
Safety Statements
26-37 expand Show data source
26-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 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-H411 expand Show data source
GHS Precautionary statements
P261-P273-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
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
98% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(CH3)2C6H2Br2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05212132 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 116157 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle