CAS 120484-50-6|1-(2-fluoro-6-methoxyphenyl)ethan-1-one|1-(2-fluoro-6-methoxyphenyl)ethanone|2'-Fluoro-6'-methoxyacetophenone|1-(2-fluoro-6-methoxyphenyl)ethan-1-one|2'-氟-6'-甲氧基苯乙酮|2'-Fluoro-...

Molecular Formula

C₉H₉FO₂

Molecular Mass

168.1649632

Exact Mass

168.05865775

InChI

InChI=1S/C9H9FO2/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-5H,1-2H3

InChIKey

POHCKHGBDOTACV-UHFFFAOYSA-N

Canonic Smiles

COc1cccc(c1C(=O)C)F

Isomeric Smiles

O=C(c1c(cccc1OC)F)C

JChem

Acid pKa

14.840141

H Acceptors

H Donor

LogD (pH = 5.5)

1.515924

LogD (pH = 7.4)

1.515924

Log P

1.515924

Molar Refractivity

43.1404

Polarizability

16.282963

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2737355

IUPAC name

1-(2-fluoro-6-methoxyphenyl)ethan-1-one

IUPAC Traditional name

1-(2-fluoro-6-methoxyphenyl)ethanone

Synonyms

2'-Fluoro-6'-methoxyacetophenone1-(2-fluoro-6-methoxyphenyl)ethan-1-one2'-氟-6'-甲氧基苯乙酮2'-Fluoro-6'-methoxyacetophenone

MDL Number

MFCD00671762

PubChem SID

162084068

CAS Number

120484-50-6

Safety Information

Storage Warning

Irritant

TSCA Listed

否

Risk Statements

36/37/38

GHS Hazard statements

H315-H319-H335

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

European Hazard Symbols

Irritant (Xi)

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

Safety Statements

26-37

Product Information

Purity

95%

98%

Physical Property

Hydrophobicity(logP)

1.536

Refractive Index

1.5080

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Academic Data

PubChem

2737355

IUPAC name

1-(2-fluoro-6-methoxyphenyl)ethan-1-one

IUPAC Traditional name

1-(2-fluoro-6-methoxyphenyl)ethanone

Synonyms

2'-Fluoro-6'-methoxyacetophenone1-(2-fluoro-6-methoxyphenyl)ethan-1-one2'-氟-6'-甲氧基苯乙酮2'-Fluoro-6'-methoxyacetophenone

MDL Number

MFCD00671762

PubChem SID

162084068

CAS Number

120484-50-6

Safety Information

Storage Warning

Irritant

TSCA Listed

否

Risk Statements

36/37/38

GHS Hazard statements

H315-H319-H335

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

European Hazard Symbols

Irritant (Xi)

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

Safety Statements

26-37

Product Information

Purity

95%

98%

Physical Property

Hydrophobicity(logP)

1.536

Refractive Index

1.5080

No Data Available

Click here to submit data

Molecule

ID:97461