Basic Information | Post buying leads | Suppliers |
Name |
Boronicacid, B-[3-[[(3-chloropropyl)sulfonyl]amino]phenyl]- |
EINECS | N/A |
CAS No. | 913835-50-4 | Density | 1.42 g/cm3 |
PSA | 95.01000 | LogP | 0.89080 |
Solubility | N/A | Melting Point |
114-116 °C |
Formula | C9H13BClNO4S | Boiling Point | 491.6 °C at 760 mmHg |
Molecular Weight | 277.537 | Flash Point | 251.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [3-[[(3-chloropropyl)sulfonyl]amino]phenyl]- (9CI); |
The Boronicacid, B-[3-[[(3-chloropropyl)sulfonyl]amino]phenyl]-, with CAS registry number 913835-50-4, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [3-(3-chloropropylsulfonylamino)phenyl]boronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C9H13BClNO4S.
Physical properties of Boronicacid, B-[3-[[(3-chloropropyl)sulfonyl]amino]phenyl]-: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.28; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 95.01 Å2; (9)Index of Refraction: 1.575; (10)Molar Refractivity: 64.48 cm3; (11)Molar Volume: 195.1 cm3; (12)Polarizability: 25.56×10-24cm3; (13)Surface Tension: 57.3 dyne/cm; (14)Density: 1.42 g/cm3; (15)Flash Point: 251.1 °C; (16)Enthalpy of Vaporization: 79.87 kJ/mol; (17)Boiling Point: 491.6 °C at 760 mmHg; (18)Vapour Pressure: 1.76E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)NS(=O)(=O)CCCCl)(O)O
(2)InChI: InChI=1/C9H13BClNO4S/c11-5-2-6-17(15,16)12-9-4-1-3-8(7-9)10(13)14/h1,3-4,7,12-14H,2,5-6H2
(3)InChIKey: LWZDXIWINJAQDN-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H13BClNO4S/c11-5-2-6-17(15,16)12-9-4-1-3-8(7-9)10(13)14/h1,3-4,7,12-14H,2,5-6H2
(5)Std. InChIKey: LWZDXIWINJAQDN-UHFFFAOYSA-N