Boronic acid, B-(3-chloro-5-methylphenyl)- supplier

Name
3-CHLORO-5-METHYLPHENYLBORONIC ACID
EINECS
CAS No. 913836-14-3
Article Data1
CAS DataBase
Density 1.26 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (3-chloro-5-methylphenyl)- (9CI);3-Chloro-5-methylphenylboronic acid;
PSA 40.46000
LogP 0.32820

Boronic acid, B-(3-chloro-5-methylphenyl)- Specification

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

Product Name

3-CHLORO-5-METHYLPHENYLBORONIC ACID

Boronic acid, B-(3-chloro-5-methylphenyl)- Specification

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