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Name |
Butanoicacid, 2-(4-chlorophenoxy)-3-methyl-, (3-phenoxyphenyl)methyl ester |
EINECS | N/A |
CAS No. | 63402-73-3 | Density | 1.196 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C24H23ClO4 | Boiling Point | 513.2 °C at 760 mmHg |
Molecular Weight | 410.897 | Flash Point | 171.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(3-Phenoxyphenyl)methyl 2-(4-chlorophenoxy)-3-methylbutanoate; |
Article Data | 1 |
The Butanoicacid, 2-(4-chlorophenoxy)-3-methyl-, (3-phenoxyphenyl)methyl ester, with the CAS registry number 63402-73-3, is also known as 3-Phenoxybenzyl 2-(4-chlorophenoxy)-3-methylbutanoate. This chemical's molecular formula is C24H23ClO4 and molecular weight is 410.89. What's more, its IUPAC name is (3-Phenoxyphenyl)methyl 2-(4-chlorophenoxy)-3-methylbutanoate.
Physical properties about Butanoicacid, 2-(4-chlorophenoxy)-3-methyl-, (3-phenoxyphenyl)methyl ester are: (1)ACD/LogP: 7.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.13; (4)ACD/LogD (pH 7.4): 7.13; (5)ACD/BCF (pH 5.5): 153496.03; (6)ACD/BCF (pH 7.4): 153496.03; (7)ACD/KOC (pH 5.5): 179384.78; (8)ACD/KOC (pH 7.4): 179384.78; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 113.61 cm3; (15)Molar Volume: 343.4 cm3; (16)Polarizability: 45.04×10-24 cm3; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 171.4 °C; (20)Enthalpy of Vaporization: 78.46 kJ/mol; (21)Boiling Point: 513.2 °C at 760 mmHg; (22)Vapour Pressure: 1.2E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc3ccc(OC(C(=O)OCc2cccc(Oc1ccccc1)c2)C(C)C)cc3
(2) InChI: InChI=1/C24H23ClO4/c1-17(2)23(29-21-13-11-19(25)12-14-21)24(26)27-16-18-7-6-10-22(15-18)28-20-8-4-3-5-9-20/h3-15,17,23H,16H2,1-2H3
(3) InChIKey: NFNPRJSSOBFOTR-UHFFFAOYAR