CAS 913835-70-8|2-(4-Boronophenyl)-5-methyl-1,3,4-oxadiazole|4-(5-methyl-1,3,4-oxadiazol-2-yl)phenylboronic acid|[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid|4-(5-Methyl-1,3,4-oxadiazol-2-y...

Molecular Formula

C₉H₉BN₂O₃

Molecular Mass

203.99036

Exact Mass

204.07062256

InChI

InChI=1S/C9H9BN2O3/c1-6-11-12-9(15-6)7-2-4-8(5-3-7)10(13)14/h2-5,13-14H,1H3

InChIKey

SPSKFVHUUJWUPB-UHFFFAOYSA-N

Canonic Smiles

OB(c1ccc(cc1)c1nnc(o1)C)O

Isomeric Smiles

B(c1ccc(cc1)c1nnc(o1)C)(O)O

JChem

Acid pKa

8.527822

H Acceptors

H Donor

LogD (pH = 5.5)

0.6816949

LogD (pH = 7.4)

0.65105474

Log P

0.6821

Molar Refractivity

61.0714

Polarizability

20.700756

Polar Surface Area

79.38

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

44119343

Synonyms

2-(4-Boronophenyl)-5-methyl-1,3,4-oxadiazole4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzeneboronic acid 98%4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzeneboronic acid4-(5-甲基-1,3,4-恶二唑-2-基)苯硼酸

IUPAC Traditional name

4-(5-methyl-1,3,4-oxadiazol-2-yl)phenylboronic acid

IUPAC name

[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid

PubChem SID

PubChem CID

MDL Number

CAS Number

Safety Information

Storage Warning

Irritant/Keep Cold

Safety Statements

26-37-60

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

GHS Hazard statements

H315-H319-H335

GHS Precautionary statements

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

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

36/37/38

Physical Property

Melting Point

188-190°C

Product Information

Purity

98%

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Academic Data

PubChem

44119343

Synonyms

2-(4-Boronophenyl)-5-methyl-1,3,4-oxadiazole4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzeneboronic acid 98%4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzeneboronic acid4-(5-甲基-1,3,4-恶二唑-2-基)苯硼酸

IUPAC Traditional name

4-(5-methyl-1,3,4-oxadiazol-2-yl)phenylboronic acid

IUPAC name

[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid

PubChem SID

PubChem CID

MDL Number

CAS Number

Safety Information

Storage Warning

Irritant/Keep Cold

Safety Statements

26-37-60

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

GHS Hazard statements

H315-H319-H335

GHS Precautionary statements

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

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

36/37/38

Physical Property

Melting Point

188-190°C

Product Information

Purity

98%

No Data Available

Click here to submit data

Molecule

ID:87656