Boronic acid,B-[4-[(methoxymethylamino)carbonyl]phenyl]- supplier

Name
4-(N,O-DIMETHYLHYDROXYLAMINOCARBONYL)PHENYLBORONIC ACID
EINECS
CAS No. 179055-26-6
Density 1.25 g/cm³
Solubility
Melting Point 118-124 °C
Formula C₉H₁₂BNO₄
Boiling Point 438.2 °C at 760 mmHg
Molecular Weight 209.01
Flash Point 218.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[(methoxymethylamino)carbonyl]phenyl]- (9CI);{4-[methoxy(methyl)carbamoyl]phenyl}boronic acid;boronic acid, B-[4-[(methoxymethylamino)carbonyl]phenyl]-;
PSA 70.00000
LogP -1.00020

Boronic acid,B-[4-[(methoxymethylamino)carbonyl]phenyl]- Specification

The Boronic acid,B-[4-[(methoxymethylamino)carbonyl]phenyl]-, with the CAS registry number 179055-26-6, has the systematic name {4-[methoxy(methyl)carbamoyl]phenyl}boronic acid. It belongs to the following product categories: Blocks; BoronicAcids; Aryl; Organoborons. And the molecular formula of the chemical is C₉H₁₂BNO₄.

The characteristics of Boronic acid,B-[4-[(methoxymethylamino)carbonyl]phenyl]- are as followings: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 48 Å²; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 52.91 cm³; (9)Molar Volume: 166.1 cm³; (10)Polarizability: 20.97×10^-24cm³; (11)Surface Tension: 50.1 dyne/cm; (12)Density: 1.25 g/cm³; (13)Flash Point: 218.8 °C; (14)Enthalpy of Vaporization: 73.25 kJ/mol; (15)Boiling Point: 438.2 °C at 760 mmHg; (16)Vapour Pressure: 1.87E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(B(O)O)cc1)N(OC)C
(2)InChI: InChI=1/C9H12BNO4/c1-11(15-2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,1-2H3
(3)InChIKey: PISDDPDFGJLSQA-UHFFFAOYAB

Product Name

4-(N,O-DIMETHYLHYDROXYLAMINOCARBONYL)PHENYLBORONIC ACID

Boronic acid,B-[4-[(methoxymethylamino)carbonyl]phenyl]- Specification

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