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| CAS No.: | 612845-44-0 |
|---|---|
| Name: | (6-ETHOXYPYRIDIN-3-YL)BORONIC ACID |
| Molecular Structure: | |
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| Formula: | C7H10BNO3 |
| Molecular Weight: | 166.972 |
| Synonyms: | Boronicacid, (6-ethoxy-3-pyridinyl)- (9CI);(6-Ethoxy-3-pyridinyl)boronic acid;2-Ethoxy-5-pyridinylboronic acid;2-ethoxypyridine-5-boronic acid; |
| EINECS: | -0 |
| Density: | 1.202 g/cm3 |
| Melting Point: | 102-104°C |
| Boiling Point: | 322.5 °C at 760 mmHg |
| Flash Point: | 148.9 °C |
| Appearance: | white or cream-colored powder |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 62.58000 |
| LogP: | -0.83990 |
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Specification
This chemical is called Boronic acid, B-(6-ethoxy-3-pyridinyl)-, and its systematic name is (6-ethoxypyridin-3-yl)boronic acid. With the molecular formula of C7H10BNO3, its product categories are Methoxy; Blocks; Boronic Acids; Pyridines. The CAS registry number of this chemical is 612845-44-0. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Boronic acid, B-(6-ethoxy-3-pyridinyl)- can be summarised as followings: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 99; (8)ACD/KOC (pH 7.4): 11; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 62.58 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 42.083 cm3; (15)Molar Volume: 138.911 cm3; (16)Polarizability: 16.683×10-24cm3; (17)Surface Tension: 48.166 dyne/cm; (18)Density: 1.202 g/cm3; (19)Flash Point: 148.872 °C; (20)Enthalpy of Vaporization: 59.583 kJ/mol; (21)Boiling Point: 322.548 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: CCOc1ccc(cn1)B(O)O
2.InChI: InChI=1/C7H10BNO3/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3
3.InChIKey: UONCERAQKBPLML-UHFFFAOYAT