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| CAS No.: | 90002-36-1 |
|---|---|
| Name: | 2-Ethylphenylboronic acid |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H11BO2 |
| Molecular Weight: | 149.985 |
| Synonyms: | Benzeneboronicacid, o-ethyl- (7CI);Boronic acid, (2-ethylphenyl)- (9CI);2-Ethylbenzeneboronic acid;Boronic acid,B-(2-ethylphenyl)-; |
| Density: | 1.07 g/cm3 |
| Melting Point: | 102.5-107.5 °C(lit.) |
| Boiling Point: | 299.1 °C at 760 mmHg |
| Flash Point: | 134.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-36/37 |
| PSA: | 40.46000 |
| LogP: | -0.07120 |
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Chemistry
Structure of 2-Ethylphenylboronic acid (CAS NO.90002-36-1):
IUPAC Name: (2-Ethylphenyl)boronic acid
Molecular Weight: 149.98274 g/mol
Molecular Formula: C8H11BO2
Density: 1.07 g/cm3
Melting Point: 102.5-107.5 °C(lit.)
Boiling Point: 299.1 °C at 760 mmHg
Flash Point: 134.7 °C
Index of Refraction: 1.521
Molar Refractivity: 42.54 cm3
Molar Volume: 139.6 cm3
Surface Tension: 39.4 dyne/cm
Enthalpy of Vaporization: 56.93 kJ/mol
Vapour Pressure: 0.000544 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 150.08521
MonoIsotopic Mass: 150.08521
Topological Polar Surface Area: 40.5
Heavy Atom Count: 11
Canonical SMILES: B(C1=CC=CC=C1CC)(O)O
InChI: InChI=1S/C8H11BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6,10-11H,2H2,1H3
InChIKey: QSSPYZOSTJDTTL-UHFFFAOYSA-N
Product Categories of 2-Ethylphenylboronic acid (CAS NO.90002-36-1): Boronic acids; Aryl; Boronic acid; Organoborons; Boronic Acids; Boronic Acids and Derivatives
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
2-Ethylphenylboronic acid (CAS NO.90002-36-1) is also named as (2-Ethylphenyl)boronic acid ; Boronic acid, B-(2-ethylphenyl)- ; (2-Ethylphenyl)boranediol ; Boronic acid, (2-ethylphenyl)- .