Boronic acid,B-(3-bromo-5-methoxyphenyl)- supplier

Name
3-Bromo-5-methoxybenzeneboronic acid
EINECS
CAS No. 849062-12-0
Density 1.61 g/cm³
Solubility
Melting Point
Formula C₇H₈BBrO₃
Boiling Point 367.9 °C at 760 mmHg
Molecular Weight 230.854
Flash Point 176.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (3-bromo-5-methoxyphenyl)- (9CI);
PSA 49.69000
LogP 0.13750

Boronic acid,B-(3-bromo-5-methoxyphenyl)- 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

Product Name

3-Bromo-5-methoxybenzeneboronic acid

Boronic acid,B-(3-bromo-5-methoxyphenyl)- Specification

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