4-Aminophenylboronic acid hydrochloride supplier

Name
4-AMINOPHENYLBORONIC ACID HYDROCHLORIDE
EINECS
CAS No. 80460-73-7
Article Data2
CAS DataBase
Density 1.23g/cm3
Solubility
Melting Point 141-143 °C
Formula C₆H₈BNO₂^.HCl
Boiling Point 355 °C at 760 mmHg
Molecular Weight 173.407
Flash Point 168.5 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (4-aminophenyl)-, hydrochloride (9CI);(4-Aminophenyl)boronic acid hydrochloride (1:1);Boronic acid, B-(4-aminophenyl)-, hydrochloride (1:1);4-Amino Phenylboronic Acid HCl;
PSA 66.48000
LogP 0.33180

4-Aminophenylboronic acid hydrochloride Specification

The Boronic acid,B-(4-aminophenyl)-, hydrochloride (1:1), with the CAS registry number 80460-73-7, has the systematic name of (4-aminophenyl)boronic acid hydrochloride. It belongs to the product categories: Amines; Blocks; BoronicAcids; Boronic acids; Boronic Acid. And the molecular formula of the chemical is C₆H₈BNO₂^.HCl.

The characteristics of Boronic acid,B-(4-aminophenyl)-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.25; (8)ACD/KOC (pH 7.4): 33.06; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.7 Å²; (13)Flash Point: 168.5 °C; (14)Enthalpy of Vaporization: 63.32 kJ/mol; (15)Boiling Point: 355 °C at 760 mmHg; (16)Vapour Pressure: 1.19E-05 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 protective clothing, 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: Cl.OB(O)c1ccc(N)cc1
(2)InChI: InChI=1/C6H8BNO2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,9-10H,8H2;1H
(3)InChIKey: QBYGJJSFMOVYOA-UHFFFAOYAK

Product Name

4-AMINOPHENYLBORONIC ACID HYDROCHLORIDE

4-Aminophenylboronic acid hydrochloride Specification

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