CAS 423768-44-9|1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde|1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde|1-(4-methoxyphenyl)-5-methylpyrazole-4-carbaldehyde|1-(4-methoxyphen...

Molecular Formula

C₁₂H₁₂N₂O₂

Molecular Mass

216.23588

Exact Mass

216.08987763

InChI

InChI=1S/C12H12N2O2/c1-9-10(8-15)7-13-14(9)11-3-5-12(16-2)6-4-11/h3-8H,1-2H3

InChIKey

SYBPJZRAGTVHTN-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)n1ncc(c1C)C=O

Isomeric Smiles

n1(c2ccc(cc2)OC)ncc(c1C)C=O

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.8134263

LogD (pH = 7.4)

1.8134563

Log P

1.8134568

Molar Refractivity

62.6166

Polarizability

23.58009

Polar Surface Area

44.12

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2779735

IUPAC name

1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde

Synonyms

1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde

IUPAC Traditional name

1-(4-methoxyphenyl)-5-methylpyrazole-4-carbaldehyde

MDL Number

MFCD03407348

CAS Number

423768-44-9

PubChem SID

162070276

Product Information

Purity

95%

Empirical Formula (Hill Notation)

C12H12N2O2

Safety Information

GHS Signal Word

Warning

European Hazard Symbols

Harmful (Xn)

MSDS Link

Download link

GHS Hazard statements

H302

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

Risk Statements

German water hazard class

Physical Property

Melting Point

75-80 °C

No Data Available

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No Data Available

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Sigma Aldrich

732508

Packaging
250 mg in glass bottle

No Data Available

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Academic Data

PubChem

2779735

IUPAC name

1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde

Synonyms

1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde

IUPAC Traditional name

1-(4-methoxyphenyl)-5-methylpyrazole-4-carbaldehyde

MDL Number

MFCD03407348

CAS Number

423768-44-9

PubChem SID

162070276

Product Information

Purity

95%

Empirical Formula (Hill Notation)

C12H12N2O2

Safety Information

GHS Signal Word

Warning

European Hazard Symbols

Harmful (Xn)

MSDS Link

Download link

GHS Hazard statements

H302

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

Risk Statements

German water hazard class

Physical Property

Melting Point

75-80 °C

Sigma Aldrich

732508

Packaging
250 mg in glass bottle

No Data Available

Click here to submit data

Molecule

ID:83157