Boronic acid,B-[4-[(1-methylethyl)sulfonyl]phenyl]- supplier

Name
4-(ISOPROPYLSULFONYLPHENYL)BORONIC ACID
EINECS
CAS No. 850567-98-5
Density 1.29 g/cm³
Solubility
Melting Point 126-128 °C
Formula C₉H₁₃BO₄S
Boiling Point 443.1 °C at 760 mmHg
Molecular Weight 228.077
Flash Point 221.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[(1-methylethyl)sulfonyl]phenyl]- (9CI);4-(Isopropylsulfonyl)phenylboronic acid;[4-[(1-Methylethyl)sulfonyl]phenyl]boronic acid;4-(Isopropylsulphonyl)benzeneboronic acid;
PSA 82.98000
LogP 0.62930

Boronic acid,B-[4-[(1-methylethyl)sulfonyl]phenyl]- Specification

The Boronic acid,B-[4-[(1-methylethyl)sulfonyl]phenyl]-, with the CAS registry number 850567-98-5, is also known as [4-[(1-Methylethyl)sulfonyl]phenyl]boronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C₉H₁₃BO₄S and molecular weight is 228.07. What's more, its systematic name is (4-isopropylsulfonylphenyl)boronic acid.

Physical properties of Boronic acid,B-[4-[(1-methylethyl)sulfonyl]phenyl]- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.58; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 82.98 Å²; (9)Index of Refraction: 1.546; (10)Molar Refractivity: 55.97 cm³; (11)Molar Volume: 176.5 cm³; (12)Polarizability: 22.18×10^-24cm³; (13)Surface Tension: 49.2 dyne/cm; (14)Density: 1.29 g/cm³; (15)Flash Point: 221.8 °C; (16)Enthalpy of Vaporization: 73.85 kJ/mol; (17)Boiling Point: 443.1 °C at 760 mmHg; (18)Vapour Pressure: 1.25E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)S(=O)(=O)C(C)C)(O)O
(2)InChI: InChI=1S/C9H13BO4S/c1-7(2)15(13,14)9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3
(3)InChIKey: IGJLXIUSOMMUIV-UHFFFAOYSA-N

Product Name

4-(ISOPROPYLSULFONYLPHENYL)BORONIC ACID

Boronic acid,B-[4-[(1-methylethyl)sulfonyl]phenyl]- Specification

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