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Name |
Boronic acid, B-(3-chloro-5-methylphenyl)- |
EINECS | N/A |
CAS No. | 913836-14-3 | Density | 1.26 g/cm3 |
PSA | 40.46000 | LogP | 0.32820 |
Solubility | N/A | Melting Point |
235-238 °C |
Formula | C7H8BClO2 | Boiling Point | 336.3 °C at 760 mmHg |
Molecular Weight | 170.403 | Flash Point | 157.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, (3-chloro-5-methylphenyl)- (9CI);3-Chloro-5-methylphenylboronic acid; |
Article Data | 1 |
This chemical is called Boronic acid, B-(3-chloro-5-methylphenyl)-, and its systematic name is (3-chloro-5-methylphenyl)boronic acid. With the molecular formula of C7H8BClO2, its molecular weight is 170.40. The CAS registry number of this chemical is 913836-14-3. Additionally, its product categories are Blocks; Boronic Acids.
Other characteristics of the Boronic acid, B-(3-chloro-5-methylphenyl)- can be summarised as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 59.8; (6)ACD/BCF (pH 7.4): 38.56; (7)ACD/KOC (pH 5.5): 649.38; (8)ACD/KOC (pH 7.4): 418.71; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 42.73 cm3; (15)Molar Volume: 134.3 cm3; (16)Polarizability: 16.94×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 157.2 °C; (20)Enthalpy of Vaporization: 61.16 kJ/mol; (21)Boiling Point: 336.3 °C at 760 mmHg; (22)Vapour Pressure: 4.43E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c1cc(C)cc(Cl)c1
2.InChI: InChI=1/C7H8BClO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
3.InChIKey: QXHLBINWDJITMJ-UHFFFAOYAC