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Name |
Phenol, 2, 6-dichloro-3-methyl- |
EINECS | 236-785-3 |
CAS No. | 13481-70-4 | Density | 1.382 g/cm3 |
PSA | 20.23000 | LogP | 3.00740 |
Solubility | N/A | Melting Point |
28°C |
Formula | C7H6Cl2O | Boiling Point | 223 °C at 760 mmHg |
Molecular Weight | 177.03 | Flash Point | 102.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
m-Cresol, 2, 6-dichloro- (8CI);2, 6-Dichloro-3-methylphenol;2, 6-Dichloro-m-cresol; |
Article Data | 10 |
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