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10386-84-2 molecular structure
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1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene

ChemBase ID: 8899
Molecular Formular: C12Br2F8
Molecular Mass: 455.9236256
Monoisotopic Mass: 453.82389976
SMILES and InChIs

SMILES:
c1(c(c(c(c(c1F)c1c(c(c(c(c1F)F)Br)F)F)F)F)Br)F
Canonical SMILES:
Fc1c(c2c(F)c(F)c(c(c2F)F)Br)c(F)c(c(c1F)Br)F
InChI:
InChI=1S/C12Br2F8/c13-3-9(19)5(15)1(6(16)10(3)20)2-7(17)11(21)4(14)12(22)8(2)18
InChIKey:
YXLMNFVUNLCJJY-UHFFFAOYSA-N

Cite this record

CBID:8899 http://www.chembase.cn/molecule-8899.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
IUPAC Traditional name
1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
Synonyms
4,4'-Dibromooctafluorobiphenyl
4,4'-Dibromooctafluorobiphenyl 99%
4,4'-Dibromooctafluorobiphenyl
4,4′-Dibromooctafluorobiphenyl
4,4'-二溴八氟联苯
4,4′-二溴八氟联苯
CAS Number
10386-84-2
EC Number
233-847-1
MDL Number
MFCD00000310
PubChem SID
24846559
160972206
PubChem CID
82600

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.299592  LogD (pH = 7.4) 6.299592 
Log P 6.299592  Molar Refractivity 68.171 cm3
Polarizability 26.15934 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
113-115 °C(lit.) expand Show data source
113-115°C expand Show data source
113-115°C 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
UN Number
3152 expand Show data source
UN3152 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
2 expand Show data source
II expand Show data source
Risk Statements
36/37/38 expand Show data source
52/53 expand Show data source
Safety Statements
26-36 expand Show data source
61 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
H402-H412 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P273-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3152 9/PG 2 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
99% expand Show data source
Linear Formula
BrC6F4C6F4Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 101990 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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