CAS 70523-24-9|[2,4-bis(benzyloxy)pyrimidin-5-yl]boronic acid|2,4-Bis(benzyloxy)pyrimidine-5-boronic acid|2,4-bis(benzyloxy)pyrimidin-5-ylboronic acid|2,4-Dibenzyluracil-5-boronic acid|2,4-Dibenzylo...

Molecular Formula

C₁₈H₁₇BN₂O₄

Molecular Mass

336.14958

Exact Mass

336.12813743

InChI

InChI=1S/C18H17BN2O4/c22-19(23)16-11-20-18(25-13-15-9-5-2-6-10-15)21-17(16)24-12-14-7-3-1-4-8-14/h1-11,22-23H,12-13H2

InChIKey

HVVGEQHZGHNHJD-UHFFFAOYSA-N

Canonic Smiles

OB(c1cnc(nc1OCc1ccccc1)OCc1ccccc1)O

Isomeric Smiles

n1c(nc(c(c1)B(O)O)OCc1ccccc1)OCc1ccccc1

JChem

Acid pKa

7.882795

H Acceptors

H Donor

LogD (pH = 5.5)

3.9314938

LogD (pH = 7.4)

3.8102489

Log P

3.9333

Molar Refractivity

89.6789

Polarizability

35.976704

Polar Surface Area

84.7

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2735514

IUPAC name

[2,4-bis(benzyloxy)pyrimidin-5-yl]boronic acid

Synonyms

2,4-Bis(benzyloxy)pyrimidine-5-boronic acid2,4-Dibenzyluracil-5-boronic acid2,4-Dibenzyloxypyrimidine-5-boronic acid2,4-联苄氧基嘧啶-5-硼酸

IUPAC Traditional name

2,4-bis(benzyloxy)pyrimidin-5-ylboronic acid

CAS Number

70523-24-9

MDL Number

MFCD01318938

PubChem SID

162078487

Safety Information

Storage Warning

Irritant

European Hazard Symbols

Irritant (Xi)

Risk Statements

36/37/38

Safety Statements

26-37

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

TSCA Listed

否

Physical Property

Melting Point

88-91°C

Product Information

Purity

95%

98%

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Academic Data

PubChem

2735514

IUPAC name

[2,4-bis(benzyloxy)pyrimidin-5-yl]boronic acid

Synonyms

2,4-Bis(benzyloxy)pyrimidine-5-boronic acid2,4-Dibenzyluracil-5-boronic acid2,4-Dibenzyloxypyrimidine-5-boronic acid2,4-联苄氧基嘧啶-5-硼酸

IUPAC Traditional name

2,4-bis(benzyloxy)pyrimidin-5-ylboronic acid

CAS Number

70523-24-9

MDL Number

MFCD01318938

PubChem SID

162078487

Safety Information

Storage Warning

Irritant

European Hazard Symbols

Irritant (Xi)

Risk Statements

36/37/38

Safety Statements

26-37

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

TSCA Listed

否

Physical Property

Melting Point

88-91°C

Product Information

Purity

95%

98%

No Data Available

Click here to submit data

Molecule

ID:91788