Boronic acid,B-[3-chloro-4-[(diethylamino)carbonyl]phenyl]- supplier

Name
3-CHLORO-4-(N,N-DIETHYLCARBAMOYL)PHENYLBORONIC ACID
EINECS
CAS No. 850589-48-9
Density 1.25 g/cm³
Solubility
Melting Point 148-152 °C
Formula C₁₁H₁₅BClNO₃
Boiling Point 466.2 °C at 760 mmHg
Molecular Weight 255.51
Flash Point 235.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms [3-Chloro-4-(diethylcarbamoylcarbonyl)phenyl]boronic acid;Boronicacid, [3-chloro-4-[(diethylamino)carbonyl]phenyl]- (9CI);3-Chloro-4-(N,N-diethylcarbamoyl)phenylboronic acid;[3-Chloro-4-(diethylcarbamoyl)phenyl]boronic acid;
PSA 60.77000
LogP 0.50180

Boronic acid,B-[3-chloro-4-[(diethylamino)carbonyl]phenyl]- Specification

The Boronic acid,B-[3-chloro-4-[(diethylamino)carbonyl]phenyl]-, with the CAS registry number 850589-48-9, is also known as 3-Chloro-4-(N,N-diethylcarbamoyl)phenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C₁₁H₁₅BClNO₃ and molecular weight is 255.51. What's more, its systematic name is [3-chloro-4-(diethylcarbamoyl)phenyl]boronic acid.

Physical properties of Boronic acid,B-[3-chloro-4-[(diethylamino)carbonyl]phenyl]- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.44; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 60.77 Å²; (9)Index of Refraction: 1.554; (10)Molar Refractivity: 65.26 cm³; (11)Molar Volume: 203.5 cm³; (12)Polarizability: 25.87×10^-24cm³; (13)Surface Tension: 49.1 dyne/cm; (14)Density: 1.25 g/cm³; (15)Flash Point: 235.7 °C; (16)Enthalpy of Vaporization: 76.69 kJ/mol; (17)Boiling Point: 466.2 °C at 760 mmHg; (18)Vapour Pressure: 1.72E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)Cl)C(=O)N(CC)CC)(O)O
(2)InChI: InChI=1S/C11H15BClNO3/c1-3-14(4-2)11(15)9-6-5-8(12(16)17)7-10(9)13/h5-7,16-17H,3-4H2,1-2H3
(3)InChIKey: CRFVBNBIELTWGR-UHFFFAOYSA-N

Product Name

3-CHLORO-4-(N,N-DIETHYLCARBAMOYL)PHENYLBORONIC ACID

Boronic acid,B-[3-chloro-4-[(diethylamino)carbonyl]phenyl]- Specification

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