China (Mainland)
1,3-Benzenediboronic acid CAS NO.4612-28-6
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Keywords
- 1,3-Benzenediboronic acid buy
Quick Details
- ProName: 1,3-Benzenediboronic acid
- CasNo: 4612-28-6
- Molecular Formula: C6H8B2O4
- Application: Pharmaceutical intermediates
- DeliveryTime: Please contact us directly to check it
- PackAge: Can be packaged in accordance with cus...
- ProductionCapacity: Metric Ton/Day
- Purity: 98.0%
- Storage: Stored in a cool, dry place. Stored i...
- Transportation: By air or By sea or By express
- LimitNum: 10 Gram
Superiority
1.Introduction of 4612-28-6
1,3-Phenylenediboronic acid has its CAS registry number as 4612-28-6. Its synonyms are Boronicacid, 1,3-phenylene
Details
1.Introduction of 4612-28-6
1,3-Phenylenediboronic acid has its CAS registry number as 4612-28-6. Its synonyms are Boronicacid, 1,3-phenylenebis- (9CI); m-Benzenediboronic acid (6CI,7CI,8CI); Benzene-1,3-diboronic acid; NSC 25409; m-Phenylenediboronic acid. Its molecular formula is C6H8B2O4, its molecular weight is 165.75 g/mol.
2.Computed Properties of 4612-28-6
ACD/LogP: 0.297
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.30
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 5.5): 1.00 A
CD/BCF (pH 7.4): 1.00
ACD/KOC (pH 5.5): 34.49
ACD/KOC (pH 7.4): 30.22
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
Polar Surface Area: 80.92?2
Index of Refraction: 1.555
Molar Refractivity: 39.824 cm3
Molar Volume: 124.063 cm3
Polarizability: 15.788 10-24cm3
Surface Tension: 55.125 dyne/cm
Density: 1.336 g/cm3
Flash Point: 229.802 °C
Enthalpy of Vaporization: 75.478 kJ/mol
Boiling Point: 456.366 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
3.Structure Description of 4612-28-6
(1)InChI: InChI=1S/C6H8B2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-12H
(2)InChIKey: UXPAASVRXBULRG-UHFFFAOYSA-N
(3)Canonical SMILES : B(C1=CC(=CC=C1)B(O)O)(O)O
4.Safety Information of 4612-28-6
Hazard Codes: Xn
Risk Statements: 36/37/38-20/21/22
Safety Statements: 26-36/37/39-36
HS Code: 29310095