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CAS No.: | 70842-33-0 |
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Name: | 3-CHLORO-5-ETHOXY-4-HYDROXYBENZALDEHYDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H9ClO3 |
Molecular Weight: | 200.622 |
Synonyms: | Benzaldehyde, 3-chloro-5-ethoxy-4-hydroxy-; |
Density: | 1.319 g/cm3 |
Melting Point: | 149-150 °C |
Boiling Point: | 301.8 °C at 760 mmHg |
Flash Point: | 136.3 °C |
PSA: | 46.53000 |
LogP: | 2.25680 |
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The 3-Chloro-5-ethoxy-4-hydroxy-benzaldehyde, with the CAS registry number 70842-33-0, is also known as Benzaldehyde, 3-chloro-5-ethoxy-4-hydroxy-. This chemical's molecular formula is C9H9ClO3 and molecular weight is 200.619. What's more, its IUPAC name is 3-Chloro-5-ethoxy-4-hydroxybenzaldehyde.
Physical properties about 3-Chloro-5-ethoxy-4-hydroxy-benzaldehyde are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 44.11; (6)ACD/BCF (pH 7.4): 4.99; (7)ACD/KOC (pH 5.5): 507.83; (8)ACD/KOC (pH 7.4): 57.46; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 51.09 cm3; (15)Molar Volume: 151.9 cm3; (16)Polarizability: 20.25×10-24 cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.319 g/cm3; (19)Flash Point: 136.3 °C; (20)Enthalpy of Vaporization: 56.37 kJ/mol; (21)Boiling Point: 301.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000575 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(cc(OCC)c1O)C=O
(2) InChI: InChI=1/C9H9ClO3/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-5,12H,2H2,1H3
(3) InChIKey: HXWPHQVLVFUYLR-UHFFFAOYAV