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

Name
4-(1-PYRROLIDINYLSULFONYL)PHENYLBORONIC ACID
EINECS
CAS No. 486422-57-5
Article Data2
CAS DataBase
Density 1.417 g/cm³
Solubility
Melting Point 275-277 °C
Formula C₁₀H₁₄BNO₄S
Boiling Point 461.707 °C at 760 mmHg
Molecular Weight 255.102
Flash Point 233.032 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms [4-(Pyrrolidin-1-ylsulfonyl)phenyl]boronic acid;
PSA 86.22000
LogP 0.16960

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

The Boronic acid,B-[4-(1-pyrrolidinylsulfonyl)phenyl]-, with the CAS registry number 486422-57-5, is also known as [4-(Pyrrolidin-1-ylsulfonyl)phenyl]boronic acid. It belongs to the product categories of Blocks; BoronicAcids; Sulfonamides. This chemical's molecular formula is C₁₀H₁₄BNO₄S and molecular weight is 255.0985. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Boronic acid,B-[4-(1-pyrrolidinylsulfonyl)phenyl]- are: (1)ACD/LogP: 1.09; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 101; (8)ACD/KOC (pH 7.4): 76; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 86.22 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 62.467 cm³; (15)Molar Volume: 179.994 cm³; (16)Polarizability: 24.764×10^-24cm³; (17)Surface Tension: 62.82 dyne/cm; (18)Density: 1.417 g/cm³; (19)Flash Point: 233.032 °C; (20)Enthalpy of Vaporization: 76.138 kJ/mol; (21)Boiling Point: 461.707 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C; (23)Melting Point: 275-277 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(B(O)O)cc1)N2CCCC2
(2) InChI: InChI=1/C10H14BNO4S/c13-11(14)9-3-5-10(6-4-9)17(15,16)12-7-1-2-8-12/h3-6,13-14H,1-2,7-8H2
(3) InChIKey: LSQCNEYLDWKDHO-UHFFFAOYAN

Product Name

4-(1-PYRROLIDINYLSULFONYL)PHENYLBORONIC ACID

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

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