CAS No.849062-12-0,3-Bromo-5-methoxybenzeneboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	849062-12-0
Name:	3-Bromo-5-methoxybenzeneboronic acid

Formula:	C₇H₈BBrO₃
Molecular Weight:	230.854
Synonyms:	Boronicacid, (3-bromo-5-methoxyphenyl)- (9CI);
Density:	1.61 g/cm³
Boiling Point:	367.9 °C at 760 mmHg
Flash Point:	176.3 °C
Hazard Symbols:	Xi
PSA:	49.69000
LogP:	0.13750

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Specification

The Boronic acid,B-(3-bromo-5-methoxyphenyl)-, with the CAS registry number 849062-12-0, is also known as 3-Bromo-5-methoxybenzeneboronic acid. It belongs to the product categories of Blocks; Bromides; Aryl; Boronic Acids and Derivatives; Boronic Acids. This chemical's molecular formula is C₇H₈BBrO₃ and molecular weight is 230.85162. What's more, its systematic name is called (3-Bromo-5-methoxyphenyl)boronic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Boronic acid,B-(3-bromo-5-methoxyphenyl)- are: (1) ACD/LogP: 2.40; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.39; (4) ACD/LogD (pH 7.4): 1.94; (5) ACD/BCF (pH 5.5): 38.11; (6) ACD/BCF (pH 7.4): 13.52; (7) ACD/KOC (pH 5.5): 468.2; (8) ACD/KOC (pH 7.4): 166.09; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 27.69 Å²; (13) Index of Refraction: 1.578; (14) Molar Refractivity: 47.37 cm³; (15) Molar Volume: 142.6 cm³; (16) Surface Tension: 51.1 dyne/cm; (17) Density: 1.61 g/cm³; (18)Flash Point: 176.3 °C; (19) Enthalpy of Vaporization: 64.83 kJ/mol; (20) Boiling Point: 367.9 °C at 760 mmHg; (21) Vapour Pressure: 4.62E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(OC)cc(B(O)O)c1
(2) InChI: InChI=1/C7H8BBrO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3
(3) InChIKey: WTSXKEODVUFEMR-UHFFFAOYAR