Products Categories
CAS No.: | 37576-04-8 |
---|---|
Name: | 1-(3-Chloropropoxy)-2-nitrobenzene |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H10ClNO3 |
Molecular Weight: | 215.636 |
Synonyms: | Benzene, 1-(3-chloropropoxy)-2-nitro-;1-Chloro-3-(2-nitrophenoxy)propane; |
Density: | 1.27 g/cm3 |
Boiling Point: | 348.4 °C at 760 mmHg |
Flash Point: | 164.5 °C |
PSA: | 55.05000 |
LogP: | 3.12570 |
What can I do for you?
Get Best Price
This product is an organic compound with the formula C9H10ClNO3. The systematic name of this chemical is 1-(3-Chloropropoxy)-2-nitrobenzene. With the CAS registry number 37576-04-8, it is also named as Benzene, 1-(3-chloropropoxy)-2-nitro-. In addition, the molecular weight is 215.63.
Physical properties of 1-(3-Chloropropoxy)-2-nitrobenzene are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.62; (6)ACD/BCF (pH 7.4): 58.62; (7)ACD/KOC (pH 5.5): 641.51; (8)ACD/KOC (pH 7.4): 641.51; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 53.59 cm3; (15)Molar Volume: 169.6 cm3; (16)Polarizability: 21.24×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 164.5 °C; (20)Enthalpy of Vaporization: 56.93 kJ/mol; (21)Boiling Point: 348.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000102 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1OCCCCl
(2)InChI: InChI=1S/C9H10ClNO3/c10-6-3-7-14-9-5-2-1-4-8(9)11(12)13/h1-2,4-5H,3,6-7H2
(3)InChIKey: DKXKUILKIAMLSD-UHFFFAOYSA-N