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703-55-9 molecular structure
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naphthalen-1-ylmagnesiumylium bromide

ChemBase ID: 297764
Molecular Formular: C10H7BrMg
Molecular Mass: 231.37158
Monoisotopic Mass: 229.95815392
SMILES and InChIs

SMILES:
c1ccc2c(c1)cccc2[Mg+].[Br-]
Canonical SMILES:
[Mg+]c1cccc2c1cccc2.[Br-]
InChI:
InChI=1S/C10H7.BrH.Mg/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-7H;1H;/q;;+1/p-1
InChIKey:
PZIIGUMPOSVMSD-UHFFFAOYSA-M

Cite this record

CBID:297764 http://www.chembase.cn/molecule-297764.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalen-1-ylmagnesiumylium bromide
IUPAC Traditional name
naphthalen-1-ylmagnesiumylium bromide
Synonyms
1-Naphthylmagnesium bromide, 0.5M in MeTHF
1-萘基溴化镁, 0.5M MeTHF 溶液
CAS Number
703-55-9
MDL Number
MFCD00015768
PubChem SID
180683295
PubChem CID
0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar H51159 external link Add to cart
PubChem 0 external link
Data Source Data ID Price
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Data Source Data ID
PubChem 0 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8544  LogD (pH = 7.4) 1.8544 
Log P 1.8544  Molar Refractivity 41.9245 cm3
Polarizability 19.685797 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
UN2924 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11-14-19-34 expand Show data source
Safety Statements
8-16-26-36/37/39-43-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Hazard statements
H225-H314-H318 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Concentration
0.5M in MeTHF expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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