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| CAS No.: | 213211-69-9 |
|---|---|
| Name: | 2-Ethoxyphenylboronic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C8H11BO3 |
| Molecular Weight: | 165.985 |
| Synonyms: | Boronicacid, (2-ethoxyphenyl)- (9CI);(2-Ethyloxyphenyl)boronic acid;2-(Ethoxy)benzeneboronic acid;Boronicacid, B-(2-ethoxyphenyl)-; |
| Density: | 1.13 g/cm3 |
| Melting Point: | 97-102 °C(lit.) |
| Boiling Point: | 328.8 °C at 760 mmHg |
| Flash Point: | 152.7 °C |
| Appearance: | white to off-white crystals or crystalline powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26-36 |
| PSA: | 49.69000 |
| LogP: | -0.23490 |
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Chemistry
Molecule structure of 2-Ethoxyphenylboronic acid (CAS NO.213211-69-9):
IUPAC Name: (2-Ethoxyphenyl)boronic acid
Molecular Weight: 165.98214 g/mol
Molecular Formula: C8H11BO3
Density: 1.13 g/cm3
Melting Point: 97-102 °C(lit.)
Boiling Point: 328.8 °C at 760 mmHg
Flash Point: 152.7 °C
Index of Refraction: 1.518
Molar Refractivity: 44.28 cm3
Molar Volume: 146 cm3
Surface Tension: 41.3 dyne/cm
Enthalpy of Vaporization: 60.3 kJ/mol
Vapour Pressure: 7.43E-05 mmHg at 25 °C
Storage Temp.: refrigerator (+4 °C)
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 166.080125
MonoIsotopic Mass: 166.080125
Topological Polar Surface Area: 49.7
Heavy Atom Count: 12
Canonical SMILES: B(C1=CC=CC=C1OCC)(O)O
InChI: InChI=1S/C8H11BO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3
InChIKey: DGFCTCGCMKEILT-UHFFFAOYSA-N
Product Categories: blocks; BoronicAcids; Boronic Acid; B (Classes of Boron Compounds); Boronic Acids; Aryl; Boronic Acids; Boronic Acids and Derivatives
Safety Profile
Hazard Codes: 
Xn, 
Xi
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 37/39-26-36
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
2-Ethoxyphenylboronic acid (CAS NO.213211-69-9) is also named as Boronicacid, B-(2-ethoxyphenyl)- ; 2-(Ethoxy)benzeneboronic acid ; (2-Ethyloxyphenyl)boronic acid . 2-Ethoxyphenylboronic acid (CAS NO.213211-69-9) is white to off-white crystals or crystalline powder.