3-Aminobenzeneboronic acid hemisulfate salt supplier

Name
3-Aminobenzeneboronic acid hemisulfate salt
EINECS 266-376-5
CAS No. 66472-86-4
Density 1.23g/cm3
Solubility Soluble in water
Melting Point 300 °C
Formula 2(C₆H₈BNO₂)^.H₂SO₄
Boiling Point 809.1 °C at 760 mmHg
Molecular Weight 371.96
Flash Point 443.1 °C
Transport Information
Appearance White to slightly beige crystalline powder
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Aminophenylboric acid hemisulphate;(3-aminophenyl)boronic acid;Boronic acid, (3-aminophenyl)-, sulfate (2:1);3-Aminophenylboronic acid hemisulfate;3-Aminophenylboronic acid hemisulfate salt;3-Aminophenylboronic acid hemisulphate;
PSA 215.94000
LogP -0.51240

3-Aminobenzeneboronic acid hemisulfate salt Specification

The IUPAC name of 3-Aminobenzeneboronic acid hemisulfate salt is (3-aminophenyl)boronic acid; sulfuric acid. With the CAS registry number 66472-86-4, it is also named as Boronic acid, (3-aminophenyl)-, sulfate (2:1). The product's categories are Substituted Boronic Acids; Organometallics; B (Classes of Boron Compounds); Boronic Acids; Boronic Acid. Besides, it is white to slightly beige crystalline powder, which should be stored in sealed containers in a cool, dry place away from oxidizing agents at 0-6 °C. In addition, its molecular formula is 2(C₆H₈BNO₂)^.H₂SO₄ and its molecular weight is 371.96.

The other characteristics of 3-Aminobenzeneboronic acid hemisulfate salt can be summarized as: (1)EINECS: 266-376-5; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 10; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 224.84 Å²; (7)Flash Point: 443.1 °C; (8)Melting point 300 °C; (9)Enthalpy of Vaporization: 123.33 kJ/mol; (10)Boiling Point: 809.1 °C at 760 mmHg; (11)Vapour Pressure: 1.17E-27 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, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: OB(O)c1cccc([NH3+])c1.[O-]S([O-])(=O)=O.OB(O)c1cccc([NH3+])c1
(2)InChI: InChI=1/2C6H8BNO2.H2O4S/c2*8-6-3-1-2-5(4-6)7(9)10;1-5(2,3)4/h2*1-4,9-10H,8H2;(H2,1,2,3,4)
(3)InChIKey: UKTAURVTSWDIQR-UHFFFAOYAR
(4)Std. InChI: InChI=1S/2C6H8BNO2.H2O4S/c2*8-6-3-1-2-5(4-6)7(9)10;1-5(2,3)4/h2*1-4,9-10H,8H2;(H2,1,2,3,4)
(5)Std. InChIKey: UKTAURVTSWDIQR-UHFFFAOYSA-N

Product Name

3-Aminobenzeneboronic acid hemisulfate salt

3-Aminobenzeneboronic acid hemisulfate salt Specification

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