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13440-24-9 molecular structure
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[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene

ChemBase ID: 301972
Molecular Formular: C14H12Br2
Molecular Mass: 340.05308
Monoisotopic Mass: 337.93057438
SMILES and InChIs

SMILES:
c1ccc(cc1)[C@H]([C@@H](c1ccccc1)Br)Br
Canonical SMILES:
Br[C@@H]([C@@H](c1ccccc1)Br)c1ccccc1
InChI:
InChI=1S/C14H12Br2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1
InChIKey:
GKESIQQTGWVOLH-ZIAGYGMSSA-N

Cite this record

CBID:301972 http://www.chembase.cn/molecule-301972.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
IUPAC Traditional name
[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
Synonyms
meso-Stilbene dibromide
meso-1,2-Dibromo-1,2-diphenylethane
内消旋-1,2-二溴-1,2-联苯乙烷
CAS Number
13440-24-9
EC Number
227-324-7
MDL Number
MFCD00000137
Beilstein Number
2050820

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five false  H Acceptors
H Donor LogD (pH = 5.5) 5.4399757 
LogD (pH = 7.4) 5.4399757  Log P 5.4399757 
Molar Refractivity 75.1882 cm3 Polarizability 28.927956 Å3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 241°C dec. expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN1759 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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