Boronic acid,B-[3-chloro-4-(1-pyrrolidinylcarbonyl)phenyl]- supplier

Name
3-CHLORO-4-(PYRROLIDINYL-1-CARBONYL)PHENYLBORONIC ACID
EINECS
CAS No. 850589-51-4
Density 1.37 g/cm³
Solubility
Melting Point 152-155 °C
Formula C₁₁H₁₃BClNO₃
Boiling Point 491.2 °C at 760 mmHg
Molecular Weight 253.49
Flash Point 250.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-chloro-4-(1-pyrrolidinylcarbonyl)phenyl]- (9CI);[3-Chloro-4-(pyrrolidin-1-ylcarbonyl)phenyl]boronic acid;[3-Chloro-4-(pyrrolidine-1-carbonyl)phenyl]boronic acid;
PSA 60.77000
LogP 0.19370

Boronic acid,B-[3-chloro-4-(1-pyrrolidinylcarbonyl)phenyl]- Specification

The Boronic acid,B-[3-chloro-4-(1-pyrrolidinylcarbonyl)phenyl]-, with the CAS registry number 850589-51-4, is also known as [3-Chloro-4-(pyrrolidin-1-ylcarbonyl)phenyl]boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C₁₁H₁₃BClNO₃ and molecular weight is 253.49. What's more, its systematic name is [3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]boronic acid.

Physical properties of Boronic acid,B-[3-chloro-4-(1-pyrrolidinylcarbonyl)phenyl]- are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 0.82; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 60.77 Å²; (9)Index of Refraction: 1.6; (10)Molar Refractivity: 63.22 cm³; (11)Molar Volume: 184.7 cm³; (12)Polarizability: 25.06×10^-24cm³; (13)Surface Tension: 57.7 dyne/cm; (14)Density: 1.37 g/cm³; (15)Flash Point: 250.9 °C; (16)Enthalpy of Vaporization: 79.82 kJ/mol; (17)Boiling Point: 491.2 °C at 760 mmHg; (18)Vapour Pressure: 1.83E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)Cl)C(=O)N2CCCC2)(O)O
(2)InChI: InChI=1S/C11H13BClNO3/c13-10-7-8(12(16)17)3-4-9
(3)InChIKey: YKSBQRHXLMQAEJ-UHFFFAOYSA-N

Product Name

3-CHLORO-4-(PYRROLIDINYL-1-CARBONYL)PHENYLBORONIC ACID

Boronic acid,B-[3-chloro-4-(1-pyrrolidinylcarbonyl)phenyl]- Specification

Related Products

Hot Products