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13481-70-4

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Basic Information
CAS No.: 13481-70-4
Name: 2,6-dichloro-m-cresol
Article Data: 10
Molecular Structure:
Molecular Structure of 13481-70-4 (2,6-dichloro-m-cresol)
Formula: C7H6Cl2O
Molecular Weight: 177.03
Synonyms: m-Cresol, 2, 6-dichloro- (8CI);2, 6-Dichloro-3-methylphenol;2, 6-Dichloro-m-cresol;
EINECS: 236-785-3
Density: 1.382 g/cm3
Melting Point: 28°C
Boiling Point: 223 °C at 760 mmHg
Flash Point: 102.4 °C
PSA: 20.23000
LogP: 3.00740
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Specification

The Phenol, 2, 6-dichloro-3-methyl-, with the CAS registry number 13481-70-4, is also known as 2, 6-Dichloro-m-cresol. Its EINECS registry number is 236-785-3. This chemical's molecular formula is C7H6Cl2O and molecular weight is 177.02794. What's more, its systematic name is 2, 6-Dichloro-3-methylphenol.

Physical properties about Phenol, 2, 6-dichloro-3-methyl- are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 123.3; (6)ACD/BCF (pH 7.4): 44.13; (7)ACD/KOC (pH 5.5): 1085.08; (8)ACD/KOC (pH 7.4): 388.39; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 42.74 cm3; (15)Molar Volume: 128 cm3; (16)Polarizability: 16.94×10-24 cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.382 g/cm3; (19)Flash Point: 102.4 °C; (20)Enthalpy of Vaporization: 47.82 kJ/mol; (21)Boiling Point: 223 °C at 760 mmHg; (22)Vapour Pressure: 0.0661 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(ccc(Cl)c1O)C
(2) InChI: InChI=1/C7H6Cl2O/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,1H3
(3) InChIKey: SXHLRMKATYCFRY-UHFFFAOYAG