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129752-86-9 molecular structure
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chloro[(2,4-dichlorophenyl)methyl]magnesium

ChemBase ID: 298532
Molecular Formular: C7H5Cl3Mg
Molecular Mass: 219.7786
Monoisotopic Mass: 217.9307249
SMILES and InChIs

SMILES:
c1cc(c(cc1Cl)Cl)C[Mg]Cl
Canonical SMILES:
Cl[Mg]Cc1ccc(cc1Cl)Cl
InChI:
InChI=1S/C7H5Cl2.ClH.Mg/c1-5-2-3-6(8)4-7(5)9;;/h2-4H,1H2;1H;/q;;+1/p-1
InChIKey:
MJNFFJCHKWQLCN-UHFFFAOYSA-M

Cite this record

CBID:298532 http://www.chembase.cn/molecule-298532.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro[(2,4-dichlorophenyl)methyl]magnesium
IUPAC Traditional name
chloro[(2,4-dichlorophenyl)methyl]magnesium
Synonyms
2,4-Dichlorobenzylmagnesium chloride, 0.25M in 2-MeTHF
2,4-二氯苄基氯化镁, 0.25M 2-MeTHF 溶液
CAS Number
129752-86-9
MDL Number
MFCD01319913
PubChem SID
180684063
PubChem CID
13120922

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 13120922 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.093  LogD (pH = 7.4) 3.093 
Log P 3.093  Molar Refractivity 46.1108 cm3
Polarizability 19.821 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
H224-H314-H318-EUH014 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
Concentration
0.25M in 2-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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