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83-53-4 molecular structure
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1,4-dibromonaphthalene

ChemBase ID: 10686
Molecular Formular: C10H6Br2
Molecular Mass: 285.96264
Monoisotopic Mass: 283.88362419
SMILES and InChIs

SMILES:
c1ccc2c(c1)c(ccc2Br)Br
Canonical SMILES:
Brc1ccc(c2c1cccc2)Br
InChI:
InChI=1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKey:
IBGUDZMIAZLJNY-UHFFFAOYSA-N

Cite this record

CBID:10686 http://www.chembase.cn/molecule-10686.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-dibromonaphthalene
IUPAC Traditional name
naphthalene, 1,4-dibromo-
Synonyms
1,4-Dibromonaphthalene
1,4-Dibromonaphthalene
1,4-二溴萘
CAS Number
83-53-4
EC Number
201-484-8
MDL Number
MFCD00041823
PubChem SID
160973993
PubChem CID
66521

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.500228  LogD (pH = 7.4) 4.500228 
Log P 4.500228  Molar Refractivity 57.7538 cm3
Polarizability 23.34518 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
80-82°C expand Show data source
80-82°C expand Show data source
80-82°C°C expand Show data source
83°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
MSDS Link
Download expand Show data source
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
false expand Show data source
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
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05213982 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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