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6-Amino-2,4-dichloro-3-methylphenol

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Name

6-Amino-2,4-dichloro-3-methylphenol

EINECS 255-033-5
CAS No. 40677-44-9 Density 1.473 g/cm3
PSA 46.25000 LogP 3.17080
Solubility N/A Melting Point 133-134 °C
Formula C7H7Cl2NO Boiling Point 296.3 °C at 760 mmHg
Molecular Weight 192.045 Flash Point 133 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 40677-44-9 (2-AMINO-4,6-DICHLORO-5-METHYLPHENOL) Hazard Symbols N/A
Synonyms

2-Amino-4,6-dichloro-5-methylphenol;3,5-Dichloro-2-hydroxy-4-methylaniline;6-Amino-2,4-dichloro-3-methylphenol;6-Amino-2,4-dichloro-m-cresol;phenol, 6-amino-2,4-dichloro-3-methyl-;4, 6-Dichloro-2-amino-5-methylphenol hydrochloride;6-Amino-2, 4-dichloro-3-methylphenol hydrochloride;

Article Data 3

6-Amino-2,4-dichloro-3-methylphenol Specification

The 6-Amino-2,4-dichloro-3-methylphenol, with the cas registry number 40677-44-9 and EINECS registry number 255-033-5, is also called 4, 6-Dichloro-2-amino-5-methylphenol hydrochloride. It belongs to the product category of Pharmaceutical Raw Materials. And the molecular formula of the chemical is C7H7Cl2NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 106.92; (6)ACD/BCF (pH 7.4): 87.34; (7)ACD/KOC (pH 5.5): 982.98; (8)ACD/KOC (pH 7.4): 802.96; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 46.98 cm3; (15)Molar Volume: 130.3 cm3; (16)Polarizability: 18.62×10-24cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.473 g/cm3; (19)Flash Point: 133 °C; (20)Enthalpy of Vaporization: 55.75 kJ/mol; (21)Boiling Point: 296.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000819 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(c(Cl)cc(N)c1O)C
(2)InChI: InChI=1/C7H7Cl2NO/c1-3-4(8)2-5(10)7(11)6(3)9/h2,11H,10H2,1H3
(3)InChIKey: QDOGSLSGLUTSQL-UHFFFAOYAG

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