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CAS No.: | 79668-76-1 |
---|---|
Name: | 3-(3-Chloro-propoxy)aniline |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H12ClNO |
Molecular Weight: | 185.653 |
Synonyms: | 3-(3-CHLORO-PROPOXY)ANILINE |
Density: | 1.159 g/cm3 |
Boiling Point: | 332.3 °C at 760 mmHg |
Flash Point: | 154.8 °C |
PSA: | 35.25000 |
LogP: | 2.85770 |
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The 3-(3-Chloro-propoxy)aniline is an organic compound with the formula C9H12ClNO. With the CAS registry number 79668-76-1, the systematic name of this chemical is 3-(3-chloropropoxy)aniline.
Physical properties about 3-(3-Chloro-propoxy)aniline are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/LogD (pH 7.4): 1.73; (4)ACD/BCF (pH 5.5): 11.7; (5)ACD/BCF (pH 7.4): 12.23; (6)ACD/KOC (pH 5.5): 199.86; (7)ACD/KOC (pH 7.4): 208.84; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 35.25 Å2; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 51.28 cm3; (14)Molar Volume: 160.1 cm3; (15)Polarizability: 20.32×10-24cm3; (16)Surface Tension: 42 dyne/cm; (17)Density: 1.159 g/cm3; (18)Flash Point: 154.8 °C; (19)Enthalpy of Vaporization: 57.5 kJ/mol; (20)Boiling Point: 332.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000147 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cccc(OCCCCl)c1
(2)InChI: InChI=1/C9H12ClNO/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1,3-4,7H,2,5-6,11H2
(3)InChIKey: FSVLCLYVKABINE-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H12ClNO/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1,3-4,7H,2,5-6,11H2
(5)Std. InChIKey: FSVLCLYVKABINE-UHFFFAOYSA-N