3-Amino-4-chlorophenylboronic acid hydrochloride supplier

Name
(3-AMINO-4-CHLOROPHENYL)BORONIC ACID HYDROCHLORIDE
EINECS
CAS No. 850568-45-5
Density
Solubility
Melting Point 278-288 °C
Formula C₆H₈BCl₂NO₂
Boiling Point 393.1 °C at 760 mmHg
Molecular Weight 207.85
Flash Point 191.5 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Amino-4-chlorophenylboronic acid hydrochloride;Boronic acid, B-(3-amino-4-chlorophenyl)-, hydrochloride (1:1);(3-Amino-4-chlorophenyl)boronic acid hydrochloride (1:1);
PSA 66.48000
LogP 0.98520

3-Amino-4-chlorophenylboronic acid hydrochloride Specification

The systematic name of 3-Amino-4-chlorophenylboronic acid hydrochloride is (3-amino-4-chloro-phenyl)boronic acid hydrochloride. With the CAS registry number 850568-45-5, it is also named as Boronic acid, B-(3-amino-4-chlorophenyl)-, hydrochloride (1:1). The product's categories are Blocks; Boronic Acids. In addition, its molecular formula is C₆H₈BCl₂NO₂ and its molecular weight is 207.85.

The other characteristics of 3-Amino-4-chlorophenylboronic acid hydrochloride can be summarized as: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1.17; (5)#H bond acceptors: 3; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 66.48 Å²; (9)Flash Point: 191.5 °C; (10)Melting Point: 278-288 °C; (11)Enthalpy of Vaporization: 67.81 kJ/mol; (12)Boiling Point: 393.1 °C at 760 mmHg; (13)Vapour Pressure: 6.95E-07 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. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1ccc(c(c1)N)Cl)(O)O.Cl
(2)InChI: InChI=1/C6H7BClNO2.ClH/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3,10-11H,9H2;1H
(3)InChIKey: MTMLYYSBEQYCDJ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H7BClNO2.ClH/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3,10-11H,9H2;1H
(5)Std. InChIKey: MTMLYYSBEQYCDJ-UHFFFAOYSA-N

Product Name

(3-AMINO-4-CHLOROPHENYL)BORONIC ACID HYDROCHLORIDE

3-Amino-4-chlorophenylboronic acid hydrochloride Specification

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