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36229-42-2 molecular structure
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bromo(3-chlorophenyl)magnesium

ChemBase ID: 151805
Molecular Formular: C6H4BrClMg
Molecular Mass: 215.75796
Monoisotopic Mass: 213.90353151
SMILES and InChIs

SMILES:
c1cc(cc(c1)Cl)[Mg]Br
Canonical SMILES:
Br[Mg]c1cccc(c1)Cl
InChI:
InChI=1S/C6H4Cl.BrH.Mg/c7-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q;;+1/p-1
InChIKey:
ZIYRUWPTUPFRQU-UHFFFAOYSA-M

Cite this record

CBID:151805 http://www.chembase.cn/molecule-151805.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(3-chlorophenyl)magnesium
IUPAC Traditional name
bromo(3-chlorophenyl)magnesium
Synonyms
3-Chlorophenylmagnesium bromide
3-氯苯基溴化镁
CAS Number
36229-42-2
MDL Number
MFCD00672003
PubChem SID
24880124
162245951
PubChem CID
12252967

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
563722 external link Add to cart Please log in.
Data Source Data ID
PubChem 12252967 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3053  LogD (pH = 7.4) 2.3053 
Log P 2.3053  Molar Refractivity 39.0143 cm3
Polarizability 16.94032 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)
Boiling Point
65 °C(lit.) expand Show data source
Flash Point
<1.4 °F expand Show data source
<-17 °C expand Show data source
Density
0.960 g/mL at 25 °C(lit.) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2924 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-19-36/37 expand Show data source
Safety Statements
16-26 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
0.5 M in THF expand Show data source
Empirical Formula (Hill Notation)
C6H4BrClMg expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 563722 external link
Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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