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Name |
Benzene,1,2,4-trichloro-3-methoxy- |
EINECS | 256-561-9 |
CAS No. | 50375-10-5 | Density | 1.416 g/cm3 |
PSA | 9.23000 | LogP | 3.65540 |
Solubility | N/A | Melting Point |
45°C |
Formula | C7H5Cl3O | Boiling Point | 254.1 °C at 760 mmHg |
Molecular Weight | 211.475 | Flash Point | 100.4 °C |
Transport Information | UN2811 | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,3,6-Trichloroanisole;Methyl 2,3,6-trichlorophenyl ether; |
Article Data | 6 |
The Benzene,1,2,4-trichloro-3-methoxy-, with the CAS registry number 50375-10-5, is also known as 2,3,6-Trichloroanisole. It belongs to the product categories of Alpha Sort; Pesticides & Metabolites; Q-ZAlphabetic; TP - TZ. Its EINECS number is 256-561-9. This chemical's molecular formula is C7H5Cl3O and molecular weight is 211.47. What's more, its IUPAC name is 1,2,4-trichloro-3-methoxybenzene. When you are using this chemical, please be cautious about it. You should not breathe dust. What's more, you should avoid contact with skin and eyes.
Physical properties of Benzene,1,2,4-trichloro-3-methoxy- are: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.87; (5)ACD/BCF (pH 5.5): 510.26; (6)ACD/BCF (pH 7.4): 510.26; (7)ACD/KOC (pH 5.5): 3018.82; (8)ACD/KOC (pH 7.4): 3018.82; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 47.61 cm3; (15)Molar Volume: 149.2 cm3; (16)Polarizability: 18.87×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.416 g/cm3; (19)Flash Point: 100.4 °C; (20)Enthalpy of Vaporization: 47.17 kJ/mol; (21)Boiling Point: 254.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0281 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(OC)c(Cl)ccc1Cl
(2)Std. InChI: InChI=1S/C7H5Cl3O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3
(3)Std. InChIKey: OTFNCXLUCRUNCH-UHFFFAOYSA-N