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117098-93-8

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Basic Information
CAS No.: 117098-93-8
Name: (5-AMINO-2-HYDROXYMETHYLPHENYL)BORONIC ACID, HCL, DEHYDRATE
Molecular Structure:
Molecular Structure of 117098-93-8 ((5-AMINO-2-HYDROXYMETHYLPHENYL)BORONIC ACID, HCL, DEHYDRATE)
Formula: C7H8BNO2.HCl
Molecular Weight: 221.45
Synonyms: 2,1-Benzoxaborol-6-amine,1,3-dihydro-1-hydroxy-, hydrochloride (9CI);2,1-Benzoxaborole,6-amino-1,3-dihydro-1-hydroxy-, hydrochloride (6CI);
Melting Point: 300℃
Boiling Point: 353.7 °C at 760 mmHg
Flash Point: 167.7 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 55.48000
LogP: 0.86970
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  • 117098-93-8

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    117098-93-8

    117098-93-8

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Specification

This chemical is called 5-Amino-2-(hydroxymethyl)benzeneboronic acid hydrochloride, and its systematic name is 1-hydroxy-3H-2,1-benzoxaborol-6-amine hydrochloride. With the molecular formula of C7H8BNO2.HCl, its molecular weight is 221.45. The CAS registry number of this chemical is 117098-93-8. In addition, its product categories are Blocks; BoronicAcids.

Other characteristics of the 5-Amino-2-(hydroxymethyl)benzeneboronic acid hydrochloride can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 55.48 Å2; (5)Flash Point: 167.7 °C; (6)Enthalpy of Vaporization: 63.18 kJ/mol; (7)Boiling Point: 353.7 °C at 760 mmHg; (8)Vapour Pressure: 1.3E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: B1(c2cc(ccc2CO1)N)O.Cl
(2)InChI: InChI=1/C7H8BNO2.ClH/c9-6-2-1-5-4-11-8(10)7(5)3-6;/h1-3,10H,4,9H2;1H
(3)InChIKey: ZDCBDYGPSUVCOU-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H8BNO2.ClH/c9-6-2-1-5-4-11-8(10)7(5)3-6;/h1-3,10H,4,9H2;1H
(5)Std. InChIKey: ZDCBDYGPSUVCOU-UHFFFAOYSA-N