CAS 59985-82-9|5-Phenylisoxazole-3-carbaldehyde|5-phenyl-1,2-oxazole-3-carbaldehyde|5-phenyl-1,2-oxazole-3-carbaldehyde|5-苯基异噁唑-3-甲醛|5-Phenylisoxazole-3-carboxaldehyde|5-Phenylisoxazole-3-car...

InChI=1S/C10H7NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-7H

QRHAQXZGSWFBOK-UHFFFAOYSA-N

O=Cc1noc(c1)c1ccccc1

c1(cc(no1)C=O)c1ccccc1

H Acceptors

H Donor

LogD (pH = 5.5)

2.2920632

LogD (pH = 7.4)

2.2920632

Log P

2.2920632

Molar Refractivity

48.7125

Polarizability

19.17186

Polar Surface Area

43.1

Rotatable Bonds

Lipinski's Rule of Five

true

5-Phenylisoxazole-3-carbaldehyde5-苯基异噁唑-3-甲醛5-Phenylisoxazole-3-carboxaldehyde5-Phenylisoxazole-3-carboxaldehyde 97%

IUPAC Traditional name

5-phenyl-1,2-oxazole-3-carbaldehyde

59-62°C

58-62 °C(lit.)

97%

C10H7NO2

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645060

Packaging
1, 5 g in glass bottle

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Names and Identifiers

Synonyms

5-Phenylisoxazole-3-carbaldehyde5-苯基异噁唑-3-甲醛5-Phenylisoxazole-3-carboxaldehyde5-Phenylisoxazole-3-carboxaldehyde 97%

IUPAC Traditional name

5-phenyl-1,2-oxazole-3-carbaldehyde

IUPAC name

5-phenyl-1,2-oxazole-3-carbaldehyde

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID

Molecule Details

645060

Packaging
1, 5 g in glass bottle

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

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

German water hazard class

GHS Hazard statements

European Hazard Symbols

Personal Protective Equipment

Empirical Formula (Hill Notation)

Molecule

ID:58595