CAS No.352525-94-1,3-Aminomethylphenylboronic acid hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	352525-94-1
Name:	3-Aminomethylphenylboronic acid hydrochloride

Formula:	C₇H₁₀BNO₂^.HCl
Molecular Weight:	187.43
Synonyms:	Boronicacid, [3-(aminomethyl)phenyl]-, hydrochloride (9CI);
Density:	1.18g/cm³
Melting Point:	248-250 °C
Boiling Point:	354.6 °C at 760 mmHg
Flash Point:	168.3 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	66.48000
LogP:	0.32740

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Specification

The 3-Aminomethylphenylboronic acid hydrochloride, with cas registry number 352525-94-1, belongs to the following product categories: (1)Amines; (2)blocks; (3)BoronicAcids; (4)API intermediates; (5)Amino; (6)Aryl; (7)Organoborons. It has the systematic name of [3-(dihydroxyboranyl)phenyl]methanaminium chloride. And its IUPAC name is [3-(aminomethyl)phenyl]boronic acid hydrochloride.

Physical properties about this chemical are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.51; (4)ACD/LogD (pH 7.4): -1.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Enthalpy of Vaporization: 63.28 kJ/mol; (14)Vapour Pressure: 1.22E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-Aminomethylphenylboronic acid hydrochloride irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].OB(O)c1cccc(c1)C[NH3+]
(2)InChI: InChI=1/C7H10BNO2.ClH/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4,10-11H,5,9H2;1H
(3)InChIKey: NPTBTFRGCBFYPZ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H10BNO2.ClH/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4,10-11H,5,9H2;1H
(5)Std. InChIKey: NPTBTFRGCBFYPZ-UHFFFAOYSA-N