3,5-dichloroanisole (33719-74-3)

The 3,5-Dichloroanisole, with CAS registry number 33719-74-3, belongs to the following product categories: (1)Aromatic Ethers; (2)Anisole; (3)Anisoles, Alkyloxy Compounds & Phenylacetates; (4)Chlorine Compounds. Its systematic name and its IUPAC name are the same, which is 1,3-dichloro-5-methoxybenzene.

Physical properties about this chemical are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 454.99; (6)ACD/BCF (pH 7.4): 454.99; (7)ACD/KOC (pH 5.5): 2781; (8)ACD/KOC (pH 7.4): 2781; (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: 1.534; (14)Molar Refractivity: 42.72 cm³; (15)Molar Volume: 137.3 cm³; (16)Polarizability: 16.93×10^-24cm³; (17)Surface Tension: 35.6 dyne/cm; (18)Enthalpy of Vaporization: 44.14 kJ/mol; (19)Vapour Pressure: 0.142 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3,5-Dichloroanisole irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides this, it is harmful by inhalation and if swallowed. So avoid contact with skin and eyes and do not breathe dust.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc1cc(OC)cc(Cl)c1
(2)InChI: InChI=1/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
(3)InChIKey: SSNXYMVLSOMJLU-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
(5)Std. InChIKey: SSNXYMVLSOMJLU-UHFFFAOYSA-N