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CAS No.: | 5468-96-2 |
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Name: | (2,4-dichlorophenyl)methyl acetate |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C9H8Cl2O2 |
Molecular Weight: | 219.067 |
Synonyms: | Benzenemethanol,2,4-dichloro-,acetate (9CI);2,4-Dichlorobenzyl acetate;NSC 15651; |
Density: | 1.318 g/cm3 |
Melting Point: | 61-63 °C |
Boiling Point: | 269.2 °C at 760 mmHg |
Flash Point: | 109.7 °C |
PSA: | 26.30000 |
LogP: | 3.05650 |
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The Benzenemethanol, 2, 4-dichloro-, 1-acetate, with the CAS registry number 5468-96-2, is also known as 2, 4-Dichlorobenzyl acetate. This chemical's molecular formula is C9H8Cl2O2 and molecular weight is 219.0646. What's more, its IUPAC name is (2, 4-Dichlorophenyl)methyl acetate.
Physical properties about Benzenemethanol, 2, 4-dichloro-, 1-acetate are: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.538; (8)Molar Refractivity: 51.99 cm3; (9)Molar Volume: 166.1 cm3; (10)Polarizability: 20.61×10-24 cm3; (11)Surface Tension: 40.8 dyne/cm; (12)Density: 1.318 g/cm3; (13)Flash Point: 109.7 °C; (14)Enthalpy of Vaporization: 50.73 kJ/mol; (15)Boiling Point: 269.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00735 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Cl)ccc1COC(=O)C
(2) InChI: InChI=1/C9H8Cl2O2/c1-6(12)13-5-7-2-3-8(10)4-9(7)11/h2-4H,5H2,1H3
(3) InChIKey: TXJMBLACZHJNAE-UHFFFAOYAC