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873-77-8 molecular structure
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(4-chlorophenyl)magnesiumylium bromide

ChemBase ID: 297767
Molecular Formular: C6H4BrClMg
Molecular Mass: 215.75796
Monoisotopic Mass: 213.90353151
SMILES and InChIs

SMILES:
c1cc(ccc1[Mg+])Cl.[Br-]
Canonical SMILES:
Clc1ccc(cc1)[Mg+].[Br-]
InChI:
InChI=1S/C6H4Cl.BrH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1
InChIKey:
CDEMHJCJMMOFMB-UHFFFAOYSA-M

Cite this record

CBID:297767 http://www.chembase.cn/molecule-297767.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-chlorophenyl)magnesiumylium bromide
IUPAC Traditional name
(4-chlorophenyl)magnesiumylium bromide
Synonyms
4-Chlorophenylmagnesium bromide, 1M in MeTHF
4-氯苯基溴化镁, 1M MeTHF 溶液
CAS Number
873-77-8
MDL Number
MFCD00009926
PubChem SID
180683298
PubChem CID
0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar H51163 external link Add to cart
PubChem 0 external link
Data Source Data ID Price
Alfa Aesar
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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) 1.3702  LogD (pH = 7.4) 1.3702 
Log P 1.3702  Molar Refractivity 30.2791 cm3
Polarizability 13.904905 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
1M 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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