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139215-43-3 molecular structure
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1,2-dibromo-3,5-difluorobenzene

ChemBase ID: 94709
Molecular Formular: C6H2Br2F2
Molecular Mass: 271.8848864
Monoisotopic Mass: 269.8491305
SMILES and InChIs

SMILES:
Brc1c(c(cc(c1)F)F)Br
Canonical SMILES:
Fc1cc(F)c(c(c1)Br)Br
InChI:
InChI=1S/C6H2Br2F2/c7-4-1-3(9)2-5(10)6(4)8/h1-2H
InChIKey:
GABNJPUNFZFOJE-UHFFFAOYSA-N

Cite this record

CBID:94709 http://www.chembase.cn/molecule-94709.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromo-3,5-difluorobenzene
IUPAC Traditional name
1,2-dibromo-3,5-difluorobenzene
Synonyms
1,2-Dibromo-3,5-difluorobenzene 99%
1,2-Dibromo-3,5-difluorobenzene
1,2-Dibromo-3,5-difluorobenzene
1,2-二溴-3,5-二氟苯
1,2-二溴-3,5-二氟代苯
CAS Number
139215-43-3
MDL Number
MFCD00042559
PubChem SID
162081363
PubChem CID
2724517

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.796155  LogD (pH = 7.4) 3.796155 
Log P 3.796155  Molar Refractivity 41.7364 cm3
Polarizability 16.113503 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
36-38°C expand Show data source
38-41°C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
Density
2.128 expand Show data source
2.13 expand Show data source
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 expand Show data source
TSCA Listed
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
99% expand Show data source
Empirical Formula (Hill Notation)
C6H2Br2F2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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