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3-Methoxy-4-chloroaniline

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Name

3-Methoxy-4-chloroaniline

EINECS N/A
CAS No. 13726-14-2 Density 1.234 g/cm3
PSA 35.25000 LogP 2.51200
Solubility N/A Melting Point 77-79 °C
Formula C7H8ClNO Boiling Point 274.058 °C at 760 mmHg
Molecular Weight 157.6 Flash Point 119.546 °C
Transport Information UN 2233 Appearance White or off-white powder
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 13726-14-2 (4-Chloro-3-methoxyaniline) Hazard Symbols IrritantXi
Synonyms

m-Anisidine,4-chloro- (8CI);1-Amino-4-chloro-3-methoxybenzene;2-Chloro-5-aminoanisole;4-Chloro-3-methoxyaniline;4-Chloro-3-methoxyphenylamine;4-Chloro-m-anisidine;5-Amino-2-chloroanisole;4-Chloro-3-(methyloxy)aniline;

Article Data 26

3-Methoxy-4-chloroaniline Specification

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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