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| CAS No.: | 177490-82-3 |
|---|---|
| Name: | 4-ACETOXYPHENYLBORONIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H9BO4 |
| Molecular Weight: | 179.968 |
| Synonyms: | Boronicacid, [4-(acetyloxy)phenyl]- (9CI);4-Acetoxyphenylboronic acid;[4-(Acetyloxy)phenyl]boronic acid; |
| Density: | 1.25 g/cm3 |
| Melting Point: | 220-224℃ |
| Boiling Point: | 339.9 °C at 760 mmHg |
| Flash Point: | 159.3 °C |
| Risk Codes: | Irritant:; ">  Irritant:; |
| Safety: | 26-37-60 |
| PSA: | 66.76000 |
| LogP: | -0.70830 |
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Specification
This chemical is called (4-Acetoxyphenyl)boronic acid, and its CAS registry number is 177490-82-3. With the molecular formula of C8H9BO4, its molecular weight is 179.97. Additionally, its product categories are Blocks; BoronicAcids.
Other characteristics of the (4-Acetoxyphenyl)boronic acid can be summarised as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.89; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 66.76 Å2; (9)Index of Refraction: 1.532; (10)Molar Refractivity: 44.4 cm3; (11)Molar Volume: 143.1 cm3; (12)Polarizability: 17.6×10-24cm3; (13)Surface Tension: 47.3 dyne/cm; (14)Density: 1.25 g/cm3; (15)Flash Point: 159.3 °C; (16)Enthalpy of Vaporization: 61.57 kJ/mol; (17)Boiling Point: 339.9 °C at 760 mmHg; (18)Vapour Pressure: 3.46E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(C)Oc1ccc(cc1)B(O)O
2.InChI: InChI=1/C8H9BO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5,11-12H,1H3
3.InChIKey: VILXJXDXZGKJLU-UHFFFAOYAP