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50375-10-5

Basic Information
CAS No.: 50375-10-5
Name: 2,3,6-TRICHLOROANISOLE
Article Data: 6
Molecular Structure:
Molecular Structure of 50375-10-5 (2,3,6-TRICHLOROANISOLE)
Formula: C7H5Cl3O
Molecular Weight: 211.475
Synonyms: 2,3,6-Trichloroanisole;Methyl 2,3,6-trichlorophenyl ether;
EINECS: 256-561-9
Density: 1.416 g/cm3
Melting Point: 45°C
Boiling Point: 254.1 °C at 760 mmHg
Flash Point: 100.4 °C
Safety: 22-24/25
Transport Information: UN2811
PSA: 9.23000
LogP: 3.65540
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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

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