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| CAS No.: | 156641-98-4 |
|---|---|
| Name: | 6-METHOXY-2-NAPHTHALENEBORONIC ACID |
| Article Data: | 12 |
| Molecular Structure: | |
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|
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| Formula: | C11H11BO3 |
| Molecular Weight: | 202.018 |
| Synonyms: | 6-Methoxy-2-naphthaleneboronic acid; |
| EINECS: | -0 |
| Density: | 1.23 g/cm3 |
| Melting Point: | >295 °C(lit.) |
| Boiling Point: | 416.249 °C at 760 mmHg |
| Flash Point: | 205.54 °C |
| Appearance: | White to off-white crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 49.69000 |
| LogP: | 0.52820 |
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Specification
The 6-Methoxy-2-naphthaleneboronic acid, with the CAS registry number 156641-98-4, is also known as (6-Methoxy-2-naphthyl)boronic acid. It belongs to the product categories of Blocks; BoronicAcids; Boronic Acid; Aryl; Boronic Acids; Boronic Acids and Derivatives. Its EINECS registry number is 200-733-8. This chemical's molecular formula is C11H11BO3 and molecular weight is 202.01. What's more, its IUPAC name is (6-Methoxynaphthalen-2-yl)boronic acid. Additionally, it should be preserved hermetically and put in a cool, dry place; avoid exposuring. It is slight white to off-white crystalline powder.
Physical properties about 6-Methoxy-2-naphthaleneboronic acid: (1)ACD/LogP: 2.735; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 70.57; (6)ACD/BCF (pH 7.4): 67.37; (7)ACD/KOC (pH 5.5): 732.42; (8)ACD/KOC (pH 7.4): 699.26; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 57.211 cm3; (15)Molar Volume: 163.532 cm3; (16)Polarizability: 22.68×10-24cm3; (17)Surface Tension: 50.17 dyne/cm; (18)Density: 1.235 g/cm3; (19)Flash Point: 205.54 °C; (20)Enthalpy of Vaporization: 70.582 kJ/mol; (21)Boiling Point: 416.249 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C; (22)Melting point: >295 °C(lit.).
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ccc2c(c1)ccc(OC)c2
(2) InChI: InChI=1S/C11H11BO3/c1-15-11-5-3-8-6-10(12(13)14)4-2-9(8)7-11/h2-7,13-14H,1H3
(3) InChIKey: GZFAVYWCPSMLCM-UHFFFAOYSA-N