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2-Aminophenylboronic acid hydrochloride

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Name

2-Aminophenylboronic acid hydrochloride

EINECS N/A
CAS No. 863753-30-4 Density N/A
PSA 66.48000 LogP 0.33180
Solubility N/A Melting Point 115-118 °C
Formula C6H8BNO2.ClH Boiling Point 346.9 °C at 760 mmHg
Molecular Weight 173.41 Flash Point 163.6 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes 22
Molecular Structure Molecular Structure of 863753-30-4 ((2-Aminophenyl)boronic acid hydrochloride) Hazard Symbols HarmfulXn
Synonyms

Boronicacid, (2-aminophenyl)-, hydrochloride (9CI);2-Aminophenylboronic acidhydrochloride;

 

2-Aminophenylboronic acid hydrochloride Specification

The CAS registry number of Boronic acid,B-(2-aminophenyl)-, hydrochloride (1:1) is 863753-30-4. The IUPAC name is (2-aminophenyl)boronic acid hydrochloride. In addition, the molecular formula is C6H8BNO2.ClH and the molecular weight is 173.41. It should be stored in a cool and dry place.

Physical properties about Boronic acid,B-(2-aminophenyl)-, hydrochloride (1:1) are: (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): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.46; (8)ACD/KOC (pH 7.4): 31.67; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Flash Point: 163.6 °C; (14)Enthalpy of Vaporization: 62.39 kJ/mol; (15)Boiling Point: 346.9 °C at 760 mmHg; (16)Vapour Pressure: 2.1E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. During using it, you should avoid contact with skin and eyes. In addition, you should not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: B(C1=CC=CC=C1N)(O)O.Cl
(2)InChI: InChI=1S/C6H8BNO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,9-10H,8H2;1H
(3)InChIKey: WPDASZCYRKGSTO-UHFFFAOYSA-N

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