CAS No.89694-45-1,5-BROMO-2-METHOXYPHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	89694-45-1
Name:	5-BROMO-2-METHOXYPHENYLBORONIC ACID
Article Data:	5

Formula:	C₇H₈BBrO₃
Molecular Weight:	230.854
Synonyms:	Benzeneboronicacid, 5-bromo-2-methoxy- (6CI,7CI);Boronic acid, (5-bromo-2-methoxyphenyl)-(9CI);3-Bromo-6-methoxyphenylboronic acid;5-Bromo-2-methoxybenzeneboronicacid;5-Bromo-2-methoxyphenylboronic acid;
Density:	1.61g/cm³
Melting Point:	130-135 °C(lit.)
Boiling Point:	378.4 °C at 760 mmHg
Flash Point:	182.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	49.69000
LogP:	0.13750

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Specification

The Boronic acid,B-(5-bromo-2-methoxyphenyl)-, with CAS registry number 89694-45-1, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Boronic Acids; (4)Boronic Acids and Derivatives; (5)Aryl. It has the systematic name of (5-bromo-2-methoxyphenyl)boronic acid. And the chemical formula of this chemical is C₇H₈BBrO₃.

Physical properties of Boronic acid,B-(5-bromo-2-methoxyphenyl)-: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 49.43; (6)ACD/BCF (pH 7.4): 29.92; (7)ACD/KOC (pH 5.5): 566.44; (8)ACD/KOC (pH 7.4): 342.9; (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)Polarizability: 18.78×10^-24cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Enthalpy of Vaporization: 66.07 kJ/mol; (19)Vapour Pressure: 2.11E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Boronic acid,B-(5-bromo-2-methoxyphenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(OC)c(B(O)O)c1
(2)InChI: InChI=1/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
(3)InChIKey: FVRLSHRAYPFXRQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
(5)Std. InChIKey: FVRLSHRAYPFXRQ-UHFFFAOYSA-N