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23488-38-2 molecular structure
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1,2,4,5-tetrabromo-3,6-dimethylbenzene

ChemBase ID: 138197
Molecular Formular: C8H6Br4
Molecular Mass: 421.74924
Monoisotopic Mass: 417.72029819
SMILES and InChIs

SMILES:
Cc1c(c(c(c(c1Br)Br)C)Br)Br
Canonical SMILES:
Cc1c(Br)c(Br)c(c(c1Br)Br)C
InChI:
InChI=1S/C8H6Br4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3
InChIKey:
RXKOKVQKECXYOT-UHFFFAOYSA-N

Cite this record

CBID:138197 http://www.chembase.cn/molecule-138197.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,4,5-tetrabromo-3,6-dimethylbenzene
IUPAC Traditional name
1,2,4,5-tetrabromo-3,6-dimethylbenzene
Synonyms
2,3,5,6-Tetrabromo-p-xylene
2,3,5,6-四溴对二甲苯
CAS Number
23488-38-2
EC Number
245-688-5
MDL Number
MFCD00010353
PubChem SID
24856733
162232455
PubChem CID
31952

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
277096 external link Add to cart Please log in.
Data Source Data ID
PubChem 31952 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.075099  LogD (pH = 7.4) 6.075099 
Log P 6.075099  Molar Refractivity 66.6316 cm3
Polarizability 25.979095 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
254-256 °C(lit.) expand Show data source
RTECS
ZE5170000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
26-37/39 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
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Linear Formula
C6Br4(CH3)2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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