CAS No.380430-55-7,(2-Amino-4-methoxycarbonylphenyl)boronic acid hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	380430-55-7
Name:	(2-Amino-4-methoxycarbonylphenyl)boronic acid hydrochloride

Formula:	C₈H₁₁BClNO₄
Molecular Weight:	231.444
Synonyms:	2-Amino-4-methoxycarbonylphenylboronic acid hydrochloride;Benzoicacid, 3-amino-4-borono-, 1-methyl ester, hydrochloride (9CI);2-Amino-4-(methoxycarbonyl)benzeneboronicacid hydrochloride;[2-Amino-4-(methoxycarbonyl)phenyl]boronic acidhydrochloride;
Melting Point:	200-204 °C
Boiling Point:	427.6 °C at 760 mmHg
Flash Point:	212.4 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	92.78000
LogP:	-0.68360

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Specification

The Benzoicacid, 3-amino-4-borono-, 1-methyl ester, hydrochloride (1:1), with the CAS registry number 380430-55-7, is also known as 2-Amino-4-methoxycarbonylphenylboronic acid hydrochloride. It belongs to the product categories of Boronicacid; Amines; Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C₈H₁₁BClNO₄ and molecular weight is 231.44124. Its IUPAC name is called (2-amino-4-methoxycarbonylphenyl)boronic acid hydrochloride.

Physical properties of Benzoicacid, 3-amino-4-borono-, 1-methyl ester, hydrochloride (1:1): (1)ACD/LogP: 0.38; (2)ACD/LogD (pH 5.5): 0.38; (3)ACD/LogD (pH 7.4): 0.18; (4)ACD/BCF (pH 5.5): 1.14; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 38.2; (7)ACD/KOC (pH 7.4): 24.1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Flash Point: 212.4 °C; (12)Enthalpy of Vaporization: 71.96 kJ/mol; (13)Boiling Point: 427.6 °C at 760 mmHg; (14)Vapour Pressure: 4.5E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=C(C=C(C=C1)C(=O)OC)N)(O)O.Cl
(2)InChI: InChI=1S/C8H10BNO4.ClH/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5;/h2-4,12-13H,10H2,1H3;1H
(3)InChIKey: IDUSDMZTKZZVAW-UHFFFAOYSA-N