The 4-Chloro-3-methoxyaniline, with the CAS registry number 13726-14-2, is also called 3-Methoxy-4-chloroaniline. It belongs to the following product categories: Amines; Blocks; Anilines, Aromatic Amines and Nitro Compounds; Anilines, Amides & Amines; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds. And the molecular formula of this chemical is C7H8ClNO.
The physical properties of 4-Chloro-3-methoxyaniline are as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 176; (8)ACD/KOC (pH 7.4): 178; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.25 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 42.063 cm3; (15)Molar Volume: 127.667 cm3; (16)Polarizability: 16.675×10-24cm3; (17)Surface Tension: 42.333 dyne/cm; (18)Density: 1.234 g/cm3; (19)Flash Point: 119.546 °C; (20)Enthalpy of Vaporization: 51.243 kJ/mol; (21)Boiling Point: 274.058 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(N)ccc1Cl
(2)InChI: InChI=1/C7H8ClNO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,9H2,1H3
(3)InChIKey: LNKBDFVSILQKSI-UHFFFAOYAW
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