3-Amino-4-methylphenylboronic acid supplier

Name
3-Amino-4-methylphenylboronic acid hydrochloride
EINECS -0
CAS No. 22237-12-3
Article Data2
CAS DataBase
Density 1.193 g/cm³
Solubility
Melting Point 250 °C
Formula C₇H₁₀BNO₂
Boiling Point 367.586 °C at 760 mmHg
Molecular Weight 150.973
Flash Point 176.11 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (3-amino-4-methylphenyl)- (9CI);p-Tolueneboronic acid, 3-amino-(7CI,8CI);p-Tolueneboronic acid, m-amino- (6CI);3-Amino-4-methylphenylboronicacid;3-Amino-4-methylbenzeneboronic acid;
PSA 66.48000
LogP -0.16180

3-Amino-4-methylphenylboronic acid Specification

The Boronic acid,B-(3-amino-4-methylphenyl)-, with the CAS registry number 22237-12-3, has the the systematic name of (3-amino-4-methylphenyl)boronic acid. It belongs to the following product categories: Amines; blocks; BoronicAcids; Boronic acids; Boronic Acid. And the molecular formula of the chemical is C₇H₁₀BNO₂.

The characteristics of Boronic acid,B-(3-amino-4-methylphenyl)- are as followings: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 2.22; (6)ACD/BCF (pH 7.4): 2.04; (7)ACD/KOC (pH 5.5): 61.37; (8)ACD/KOC (pH 7.4): 56.34; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 41.52 cm³; (15)Molar Volume: 126.5 cm³; (16)Polarizability: 16.46×10^-24cm³; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 176.1 °C; (20)Enthalpy of Vaporization: 64.79 kJ/mol; (21)Boiling Point: 367.6 °C at 760 mmHg; (22)Vapour Pressure: 4.73E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OB(O)c1cc(N)c(cc1)C
(2)InChI: InChI=1/C7H10BNO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,9H2,1H3
(3)InChIKey: PLTGUDDQNWJILD-UHFFFAOYAU

Product Name

3-Amino-4-methylphenylboronic acid hydrochloride

3-Amino-4-methylphenylboronic acid Specification

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