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64168-34-9 molecular structure
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chloro[(3-fluorophenyl)methyl]magnesium

ChemBase ID: 94165
Molecular Formular: C7H6ClFMg
Molecular Mass: 168.8789432
Monoisotopic Mass: 167.99924779
SMILES and InChIs

SMILES:
[Mg](Cc1cc(ccc1)F)Cl
Canonical SMILES:
Cl[Mg]Cc1cccc(c1)F
InChI:
InChI=1S/C7H6F.ClH.Mg/c1-6-3-2-4-7(8)5-6;;/h2-5H,1H2;1H;/q;;+1/p-1
InChIKey:
BRONYOJLRPWLDQ-UHFFFAOYSA-M

Cite this record

CBID:94165 http://www.chembase.cn/molecule-94165.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro[(3-fluorophenyl)methyl]magnesium
IUPAC Traditional name
chloro[(3-fluorophenyl)methyl]magnesium
Synonyms
3-Fluorobenzylmagnesium chloride, 0.50M in 2-MeTHF
3-Fluorobenzylmagnesium chloride 0.25M solution in diethyl ether
3-氟苄基氯化镁, 0.50M 2-MeTHF 溶液
CAS Number
64168-34-9
MDL Number
MFCD01319899
PubChem SID
162080820
PubChem CID
2778154

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2778154 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1965  LogD (pH = 7.4) 2.1965 
Log P 2.1965  Molar Refractivity 36.7176 cm3
Polarizability 15.70854 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
Flammable 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
8-9-16-26-36/37/39-45-60 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-H313 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Concentration
0.50M 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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