CAS 181705-93-1|4-Fluorophenylzinc bromide|bromo(4-fluorophenyl)zinc|bromo(4-fluorophenyl)zinc|4-氟苯溴化锌溶液|4-Fluorophenylzinc bromide solution|4-Fluorophenylzinc bromide, 0.5M in THF

Molecular Formula

C₆H₄BrFZn

Molecular Mass

240.3783632

Exact Mass

237.87718235

InChI

InChI=1S/C6H4F.BrH.Zn/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1

InChIKey

WNISLGQPJBRXAD-UHFFFAOYSA-M

Canonic Smiles

Br[Zn]c1ccc(cc1)F

Isomeric Smiles

Fc1ccc(cc1)[Zn]Br

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.3318

LogD (pH = 7.4)

2.3318

Log P

2.3318

Molar Refractivity

34.4259

Polarizability

16.370079

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2778148

Synonyms

4-Fluorophenylzinc bromide4-氟苯溴化锌溶液4-Fluorophenylzinc bromide solution4-Fluorophenylzinc bromide, 0.5M in THF

IUPAC Traditional name

bromo(4-fluorophenyl)zinc

IUPAC name

bromo(4-fluorophenyl)zinc

MDL Number

MFCD02093640

PubChem SID

16208069924873215

CAS Number

181705-93-1

Storage Warning

Flammable

Air Sensitive

GHS Pictograms

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

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

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

P210-P261-P305+P351+P338

P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A

11-19-36/37

11-15-19-34-37-40

UN 3399 4.3/PG 2

H225-H319-H335

H225-H261-H314-H351-H335

May form explosive peroxides.

3399

UN3399

16-29-33

7/8-9-16-20-23-26-33-36/37/39-43-45-60

Physical Property

1.4 °F

-17 °C

0.992 g/mL at 25 °C

0.992

Product Information

0.5 M in THF

0.5M in THF

FC6H4ZnBr

packaged under Argon in resealable ChemSeal? bottles

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

498645

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

Academic Data

PubChem

2778148

Synonyms

4-Fluorophenylzinc bromide4-氟苯溴化锌溶液4-Fluorophenylzinc bromide solution4-Fluorophenylzinc bromide, 0.5M in THF

IUPAC Traditional name

bromo(4-fluorophenyl)zinc

IUPAC name

bromo(4-fluorophenyl)zinc

MDL Number

PubChem SID

CAS Number

498645

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

Physical Property

1.4 °F

-17 °C

0.992 g/mL at 25 °C

0.992

Product Information

0.5 M in THF

0.5M in THF

FC6H4ZnBr

packaged under Argon in resealable ChemSeal? bottles

Flammable (F)

Corrosive (C)

Molecule

ID:94044