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CAS No.: | 863753-30-4 |
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Name: | (2-Aminophenyl)boronic acid hydrochloride |
Molecular Structure: | |
Formula: | C6H8BNO2.ClH |
Molecular Weight: | 173.41 |
Synonyms: | Boronicacid, (2-aminophenyl)-, hydrochloride (9CI);2-Aminophenylboronic acidhydrochloride; |
Melting Point: | 115-118 °C |
Boiling Point: | 346.9 °C at 760 mmHg |
Flash Point: | 163.6 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 22-24/25 |
PSA: | 66.48000 |
LogP: | 0.33180 |
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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