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| CAS No.: | 153624-46-5 |
|---|---|
| Name: | 4-Isopropoxylphenylboronic acid |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H13BO3 |
| Molecular Weight: | 180.011 |
| Synonyms: | Boronicacid, [4-(1-methylethoxy)phenyl]- (9CI);(4-Isopropyloxyphenyl)boronic acid;4-Isopropoxybenzeneboronic acid; |
| Density: | 1.1 g/cm3 |
| Melting Point: | 150-154 °C |
| Boiling Point: | 321.9 °C at 760 mmHg |
| Flash Point: | 148.5 °C |
| Appearance: | White to off-white or light tan powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 49.69000 |
| LogP: | 0.15360 |
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Chemistry
IUPAC Name: (4-propan-2-yloxyphenyl)boronic acid
Empirical Formula: C9H13BO3
Molecular Weight: 180.0087g/mol
Structure of 4-Isopropoxylphenylboronic acid (CAS NO.153624-46-5):
Index of Refraction: 1.511
Molar Refractivity: 48.89 cm3
Molar Volume: 163 cm3
Polarizability: 19.38×10-24cm3
Surface Tension: 39.3 dyne/cm
Density: 1.1 g/cm3
Flash Point: 148.5 °C
Enthalpy of Vaporization: 59.51 kJ/mol
Boiling Point: 321.9 °C at 760 mmHg
Vapour Pressure: 0.00012 mmHg at 25°C
Product Categories: blocks;BoronicAcids;Boronic Acid series;Boronic acids;Alkoxy;Aryl;Organoborons;Boronic acid;Boronic Acids;Boronic Acids and Derivatives
Canonical SMILES: B(C1=CC=C(C=C1)OC(C)C)(O)O
InChI: InChI=1S/C9H13BO3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3
InChIKey: CJUHQADBFQRIMC-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
4-Isopropoxylphenylboronic acid , its cas register number is 153624-46-5. It also can be called [4-(Propan-2-yloxy)phenyl]boronic acid ; boronic acid, B-[4-(1-methylethoxy)phenyl]- ; [4-(Propan-2-Yl-Oxy)Phenyl]Boranediol Hydrate . 4-Isopropoxylphenylboronic acid (CAS NO.153624-46-5) is a white to off-white or light tan powder.