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6-Methoxy-2-naphthaleneboronic acid

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Name

6-Methoxy-2-naphthaleneboronic acid

EINECS -0
CAS No. 156641-98-4 Density 1.23 g/cm3
PSA 49.69000 LogP 0.52820
Solubility N/A Melting Point >295 °C(lit.)
Formula C11H11BO3 Boiling Point 416.249 °C at 760 mmHg
Molecular Weight 202.018 Flash Point 205.54 °C
Transport Information N/A Appearance White to off-white crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 156641-98-4 (6-METHOXY-2-NAPHTHALENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

6-Methoxy-2-naphthaleneboronic acid;

Article Data 12

6-Methoxy-2-naphthaleneboronic acid 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

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