Molecule

ID:145407

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrMgO
Molecular Mass
211.33888
Exact Mass
209.95306854
Charge
0
InChI
InChI=1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h2-3,5-6H,1H3;1H;/q;;+1/p-1
InChIKey
AJKNYEHIJAMGHX-UHFFFAOYSA-M
Canonic Smiles
COc1cccc(c1)[Mg]Br
Isomeric Smiles
COc1cccc(c1)[Mg]Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5346
LogD (pH = 7.4)
1.5346
Log P
1.5346
Molar Refractivity
40.6727
Polarizability
17.532372
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Commercial Catalog
Sigma Aldrich
442194
Academic Data
PubChem
4605969
Names and Identifiers
Synonyms
3-Methoxyphenylmagnesium bromide solution3-甲氧基苯基溴化镁 溶液
IUPAC name
bromo(3-methoxyphenyl)magnesium
IUPAC Traditional name
bromo(3-methoxyphenyl)magnesium
Registration numbers
MDL Number
MFCD00672002
CAS Number
36282-40-3
PubChem CID
4605969
Properties
Safety Information
German water hazard class
3
MSDS Link
Packing Group
2
UN Number
2924
GHS Signal Word
Danger
GHS Pictograms 
GHS07
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
GHS02
Flammable gases, category 1
Flammable aerosols, categories 1,2
Flammable liquids, categories 1,2,3
Self-reactive substances and mixtures, Types B,C,D,E,F
Pyrophoric liquids, category 1
Pyrophoric solids, category 1
Self-heating substances and mixtures
Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3
Organic peroxides, Types B,C,D,E,F
GHS05
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
RID/ADR
UN 2924 3/PG 2
Safety Statements 
16-26-36/37/39-45
Hazard Class
3
European Hazard Symbols
Corrosive Corrosive (C)
Flammable Flammable (F)
GHS Precautionary statements 
P210-P261-P280-P305+P351+P338-P310
Risk Statements 
11-14-19-34-37
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water.
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
GHS Hazard statements 
H225-H314-H335
Product Information
Linear Formula
CH3OC6H4MgBr
Concentration
1.0 M in THF
Physical Property
Flash Point
-17 °C
1.4 °F
Density
1.013 g/mL at 25 °C
Boiling Point
65-67 °C
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
Packaging
100, 800 mL in Sure/Seal™
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
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