CAS 112780-67-3|bromo(3-fluoro-4-methoxyphenyl)magnesium|bromo(3-fluoro-4-methoxyphenyl)magnesium|3-Fluoro-4-methoxyphenylmagnesium bromide 0.5M solution in THF|3-Fluoro-4-methoxyphenylmagnesium bro...

Molecular Formula

C₇H₆BrFMgO

Molecular Mass

229.3293432

Exact Mass

227.94364673

InChI

InChI=1S/C7H6FO.BrH.Mg/c1-9-7-5-3-2-4-6(7)8;;/h3-5H,1H3;1H;/q;;+1/p-1

InChIKey

PYDHWJRNBFAYJS-UHFFFAOYSA-M

Canonic Smiles

Br[Mg]c1ccc(c(c1)F)OC

Isomeric Smiles

[Mg](c1cc(c(cc1)OC)F)Br

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.6741

LogD (pH = 7.4)

1.6741

Log P

1.6741

Molar Refractivity

40.8891

Polarizability

17.39137

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2778214

IUPAC name

bromo(3-fluoro-4-methoxyphenyl)magnesium

IUPAC Traditional name

bromo(3-fluoro-4-methoxyphenyl)magnesium

Synonyms

3-Fluoro-4-methoxyphenylmagnesium bromide 0.5M solution in THF3-Fluoro-4-methoxyphenylmagnesium bromide3-氟-4-甲氧苯基溴化镁

CAS Number

112780-67-3

PubChem SID

24880123162081410

MDL Number

MFCD01311480

Storage Warning

Flammable

GHS Pictograms

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

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

H225-H319-H335

UN 2924 3/PG 2

May form explosive peroxides.

P210-P261-P305+P351+P338

Product Information

0.5 M in THF

FC6H3(OCH3)MgBr

Physical Property

0.964 g/mL at 25 °C(lit.)

<-17 °C

<1.4 °F

65 °C(lit.)

No Data Available

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No Data Available

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Sigma Aldrich

563706

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.

No Data Available

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Academic Data

PubChem

2778214

IUPAC name

bromo(3-fluoro-4-methoxyphenyl)magnesium

IUPAC Traditional name

bromo(3-fluoro-4-methoxyphenyl)magnesium

Synonyms

3-Fluoro-4-methoxyphenylmagnesium bromide 0.5M solution in THF3-Fluoro-4-methoxyphenylmagnesium bromide3-氟-4-甲氧苯基溴化镁

CAS Number

PubChem SID

MDL Number

563706

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.

No Data Available

Click here to submit data

Safety Information

Product Information

0.5 M in THF

FC6H3(OCH3)MgBr

Physical Property

0.964 g/mL at 25 °C(lit.)

<-17 °C

<1.4 °F

65 °C(lit.)

Irritant (Xi)

Molecule

ID:94756