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6641-02-7

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Basic Information
CAS No.: 6641-02-7
Name: 2,4-Dichloro-6-(hydroxymethyl)phenol
Article Data: 6
Molecular Structure:
Molecular Structure of 6641-02-7 (2,4-Dichloro-6-(hydroxymethyl)phenol)
Formula: C7H6Cl2O2
Molecular Weight: 193.029
Synonyms: Benzenemethanol, 3,5-dichloro-2-hydroxy-;3,5-Dichloro-2-hydroxybenzyl alcohol;
Density: 1.537 g/cm3
Melting Point: 82 °C
Boiling Point: 277.5 °C at 760 mmHg
Flash Point: 121.6 °C
PSA: 40.46000
LogP: 2.19130
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Specification

The IUPAC name of 2,4-Dichloro-6-(hydroxymethyl)phenol is 2,4-dichloro-6-(hydroxymethyl)phenol. With the CAS registry number 6641-02-7, it is also named as Benzenemethanol, 3,5-dichloro-2-hydroxy-. The product's category is Benzhydrols, Benzyl & Special Alcohols. In addition, its molecular formula is C7H6Cl2O2 and its molecular weight is 193.03.

The other characteristics of 2,4-Dichloro-6-(hydroxymethyl)phenol can be summarized as: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 44.37 cm3; (9)Molar Volume: 125.5 cm3; (10)Polarizability: 17.59×10-24cm3; (11)Surface Tension: 58.6 dyne/cm; (12)Density: 1.537 g/cm3; (13)Flash Point: 121.6 °C; (14)Melting Point: 82 °C; (15)Enthalpy of Vaporization: 53.68 kJ/mol; (16)Boiling Point: 277.5 °C at 760 mmHg; (17)Vapour Pressure: 0.00267 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(Cl)cc(c1O)CO
(2)InChI: InChI=1/C7H6Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,10-11H,3H2
(3)InChIKey: DTJNPTWSVJSFRE-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H6Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,10-11H,3H2
(5)Std. InChIKey: DTJNPTWSVJSFRE-UHFFFAOYSA-N