3-Aminophenylboronic acid monohydrate supplier

Name
3-Aminophenylboronic acid monohydrate
EINECS 250-189-0
CAS No. 206658-89-1
Density 1.23 g/cm3
Solubility
Melting Point 94 °C
Formula C₆H₈BNO₂^.H₂O
Boiling Point 473 °C at 760 mmHg
Molecular Weight 154.961
Flash Point 239.9 °C
Transport Information
Appearance beige to brown crystalline powder or crystals
Safety 26-37/39
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xi, Xn
Synonyms Boronicacid, (3-aminophenyl)-, monohydrate (9CI);(3-Aminophenyl)boronic acid hydrate (1:1);Boronic acid, B-(3-aminophenyl)-, hydrate (1:1);
PSA 75.71000
LogP -0.53450

3-Aminophenylboronic acid monohydrate Specification

The Boronic acid,B-(3-aminophenyl)-, hydrate (1:1), with the CAS registry number 206658-89-1 and EINECS registry number 250-189-0, has the the systematic name of (3-aminophenyl)boronic acid hydrate. It is a kind of beige to brown crystalline powder or crystals, and belongs to the following product categories: Amineprimary; Amines and Anilines; Boron, Nitrile, Thio,& TM-Cpds; Substituted Boronic Acids; Boronic Acids & Esters; Phenyls & Phenyl-Het; Amino; Aryl; Organoborons; Boronic Acids & Esters; Phenyls & Phenyl-Het. And the molecular formula of the chemical is C₆H₈BNO₂^.H₂O.

The characteristics of Boronic acid,B-(3-aminophenyl)-, hydrate (1:1) are as followings: (1)# of Rule of 5 Violations: 1 ; (2)#H bond acceptors: 4; (3)#H bond donors: 6; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 66.48 Å²; (6)Flash Point: 239.9 °C; (7)Enthalpy of Vaporization: 77.55 kJ/mol; (8)Boiling Point: 473 °C at 760 mmHg; (9)Vapour Pressure: 9.39E-10 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O.OB(O)c1cccc(N)c1
(2)InChI: InChI=1/C6H8BNO2.H2O/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H2
(3)InChIKey: XAEOVQODHLLNKX-UHFFFAOYAJ

Product Name

3-Aminophenylboronic acid monohydrate

3-Aminophenylboronic acid monohydrate Specification

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