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352-13-6 molecular structure
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bromo(4-fluorophenyl)magnesium

ChemBase ID: 98744
Molecular Formular: C6H4BrFMg
Molecular Mass: 199.3033632
Monoisotopic Mass: 197.93308205
SMILES and InChIs

SMILES:
Fc1ccc(cc1)[Mg]Br
Canonical SMILES:
Br[Mg]c1ccc(cc1)F
InChI:
InChI=1S/C6H4F.BrH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1
InChIKey:
QYBFFRXNNFXREA-UHFFFAOYSA-M

Cite this record

CBID:98744 http://www.chembase.cn/molecule-98744.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromo(4-fluorophenyl)magnesium
IUPAC Traditional name
bromo(4-fluorophenyl)magnesium
Synonyms
4-Fluorophenylmagnesium bromide, 2M in diethyl ether
4-Fluorophenylmagnesium bromide solution
4-氟苯基溴化镁 溶液
CAS Number
352-13-6
MDL Number
MFCD00009667
Beilstein Number
636802
PubChem SID
162085116
24859751
24854740
PubChem CID
2734897

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2734897 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9268  LogD (pH = 7.4) 1.9268 
Log P 1.9268  Molar Refractivity 34.4259 cm3
Polarizability 14.826846 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)
Flash Point
-20 °C expand Show data source
-4 °F expand Show data source
-40 °F expand Show data source
-40°C expand Show data source
Density
1.021 g/mL at 25 °C expand Show data source
1.04 expand Show data source
1.043 g/mL at 25 °C expand Show data source
Storage Warning
Extremely Flammable/Corrosive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2924 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
1 expand Show data source
2 expand Show data source
Risk Statements
11-14-19-22-34-67 expand Show data source
11-14-19-34-37 expand Show data source
14-19-22-34-67 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H314-H336 expand Show data source
H225-H314-H335 expand Show data source
H302-H314-H336 expand Show data source
GHS Precautionary statements
P210-P261-P280-P305 + P351 + P338-P310 expand Show data source
P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2924 3/PG 1 expand Show data source
UN 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water. expand Show data source
Concentration
1.0 M in THF expand Show data source
2.0 M in diethyl ether expand Show data source
Linear Formula
FC6H4MgBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 245550 external link
Packaging
100, 800 mL in Sure/Seal™
Sigma Aldrich - 328820 external link
Packaging
100, 800 mL in Sure/Seal™
Sigma Aldrich - 256994 external link
Packaging
200 mL in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.

REFERENCES

REFERENCES

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PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

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