Boronic acid,(4-methoxy-2,5-dimethylphenyl)- (9CI) supplier

Name
2,5-DIMETHYL-4-METHOXYBENZENEBORONIC ACID
EINECS
CAS No. 246023-54-1
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₉H₁₃BO₃
Boiling Point 340 °C at 760 mmHg
Molecular Weight 180.011
Flash Point 159.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (4-Methoxy-2,5-dimethylphenyl)boronicacid;2,5-Dimethyl-4-methoxybenzeneboronic acid;
PSA 49.69000
LogP -0.00820

Boronic acid,(4-methoxy-2,5-dimethylphenyl)- (9CI) Specification

The Boronic acid,(4-methoxy-2,5-dimethylphenyl)- (9CI) is an organic compound with the formula C₉H₁₃BO₃. The systematic name of this chemical is (4-methoxy-2,5-dimethylphenyl)boronic acid. With the CAS registry number 246023-54-1, it is also named as 2,5-Dimethyl-4-methoxyphenylboronic acid. The product's categories are Blocks; BoronicAcids.

Physical properties about Boronic acid,(4-methoxy-2,5-dimethylphenyl)- (9CI) are: (1)ACD/LogP: 2.43; (2)ACD/LogD (pH 5.5): 2.42; (3)ACD/LogD (pH 7.4): 2.42; (4)ACD/BCF (pH 5.5): 40.99; (5)ACD/BCF (pH 7.4): 40.17; (6)ACD/KOC (pH 5.5): 496.56; (7)ACD/KOC (pH 7.4): 486.52; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 27.69 Å²; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 48.89 cm³; (14)Molar Volume: 161.5 cm³; (15)Polarizability: 19.38×10^-24cm³; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 1.11 g/cm³; (18)Flash Point: 159.4 °C; (19)Enthalpy of Vaporization: 61.59 kJ/mol; (20)Boiling Point: 340 °C at 760 mmHg; (21)Vapour Pressure: 3.43E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(c(cc1C)B(O)O)C)C
(2)InChI: InChI=1/C9H13BO3/c1-6-5-9(13-3)7(2)4-8(6)10(11)12/h4-5,11-12H,1-3H3
(3)InChIKey: IUUWNGBWUJVQCF-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H13BO3/c1-6-5-9(13-3)7(2)4-8(6)10(11)12/h4-5,11-12H,1-3H3
(5)Std. InChIKey: IUUWNGBWUJVQCF-UHFFFAOYSA-N

Product Name

2,5-DIMETHYL-4-METHOXYBENZENEBORONIC ACID

Boronic acid,(4-methoxy-2,5-dimethylphenyl)- (9CI) Specification

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