Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Butoxy-2-chloro-1-nitrobenzene |
EINECS | N/A |
CAS No. | 5391-56-0 | Density | 1.23 g/cm3 |
PSA | 55.05000 | LogP | 3.95030 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H12ClNO3 | Boiling Point | 340.408 °C at 760 mmHg |
Molecular Weight | 229.663 | Flash Point | 159.673 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
LogP |
Article Data | 3 |
The CAS register number of 4-Butoxy-2-chloro-1-nitrobenzene is 5391-56-0. The systematic name about this chemical is 4-butoxy-2-chloro-1-nitro-benzene. The molecular formula about this chemical is C10H12ClNO3 and molecular weight is 229.66.
Physical properties about 4-Butoxy-2-chloro-1-nitrobenzene are: (1)ACD/LogP: 4.32; (2)ACD/LogD (pH 5.5): 4.32; (3)ACD/LogD (pH 7.4): 4.32; (4)ACD/BCF (pH 5.5): 1130.182; (5)ACD/BCF (pH 7.4): 1130.182; (6)ACD/KOC (pH 5.5): 5333.876; (7)ACD/KOC (pH 7.4): 5333.876; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 55.05Å2; (11)Index of Refraction: 1.536; (12)Molar Refractivity: 58.271 cm3; (13)Molar Volume: 186.748 cm3; (14)Polarizability: 23.1x10-24cm3; (15)Surface Tension: 41.732 dyne/cm; (16)Enthalpy of Vaporization: 56.084 kJ/mol; (17)Boiling Point: 340.408 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCOc1ccc(c(c1)Cl)[N+](=O)[O-]
(2)InChI: InChI=1/C10H12ClNO3/c1-2-3-6-15-8-4-5-10(12(13)14)9(11)7-8/h4-5,7H,2-3,6H2,1H3
(3)InChIKey: ZODFFRWPRHUSMK-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H12ClNO3/c1-2-3-6-15-8-4-5-10(12(13)14)9(11)7-8/h4-5,7H,2-3,6H2,1H3
(5)Std. InChIKey: ZODFFRWPRHUSMK-UHFFFAOYSA-N