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CAS No.: | 56962-16-4 |
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Name: | 2,3,4,5-Tetrachlorobenzaldehyde |
Molecular Structure: | |
Formula: | C7H2Cl4O |
Molecular Weight: | 243.904 |
Synonyms: | 2,3,4,5-tetrachloro-benzaldehyde;Anisole,2,3,4,5-tetrachloro;Benzaldehyde, 2,3,4,5-tetrachloro-;2,3,4,5-tetrachloroanisole;2,3,4,5-tetrachlorophenol anisole;2,3,4,5-Tetrachlor-anisol;2,3,4,5-Tetrachlor-benzaldehyd;Benzene,1,2,3,4-tetrachloro-5-methoxy; |
Density: | 1.637 g/cm3 |
Boiling Point: | 305.7°C at 760 mmHg |
Flash Point: | 128.3 °C |
PSA: | 17.07000 |
LogP: | 4.11270 |
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The CAS registry number of 2,3,4,5-tetrachlorobenzaldehyde is 56962-16-4. Its molecular formula is C7H2Cl4O and molecular weight is 243.9022. Its systematic name is called 2,3,4,5-tetrachlorobenzaldehyde.
Physical properties about this chemical are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 386.65; (6)ACD/BCF (pH 7.4): 386.65; (7)ACD/KOC (pH 5.5): 2475.2; (8)ACD/KOC (pH 7.4): 2475.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 52.58 cm3; (14)Molar Volume: 148.9 cm3; (15)Surface Tension: 49.9 dyne/cm; (16)Density: 1.637 g/cm3; (17)Enthalpy of Vaporization: 54.62 kJ/mol; (18))Vapour Pressure: 0.000806 mmHg at 25°C; (19)Boiling Point: 305.7°C at 760 mmHg; (20)Flash Point: 128.3 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(cc(Cl)c(Cl)c1Cl)C=O
(2)InChI: InChI=1/C7H2Cl4O/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1-2H
(3)InChIKey: PPOLBGVKMILZNX-UHFFFAOYAG