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CAS No.: | 30595-79-0 |
---|---|
Name: | 2,6-DICHLOROPHENETHYLALCOHOL |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H8Cl2O |
Molecular Weight: | 191.057 |
Synonyms: | Phenethylalcohol, 2,6-dichloro- (8CI);2-(2,6-Dichlorophenyl)ethanol;2,6-Dichlorophenethanol;AC1MC0CZ;AC1Q7CIV; |
Density: | 1.329 g/cm3 |
Melting Point: | 59-65 °C |
Boiling Point: | 276.6 °C at 760 mmHg |
Flash Point: | 117.2 °C |
Appearance: | White to slightly yellow crystalline powder |
Safety: | 24/25 |
PSA: | 20.23000 |
LogP: | 2.52820 |
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The Benzeneethanol,2,6-dichloro- with CAS registry number of 30595-79-0 is also known as 2,6-Dichlorophenethylalcohol. The IUPAC name is 2-(2,6-Dichlorophenyl)ethanol. It belongs to product categories of Benzhydrols, Benzyl & Special Alcohols. In addition, the formula is C8H8Cl2O and the molecular weight is 191.05. This chemical is a white to slightly yellow crystalline powder that should be sealed in cool, dry place. During using it, avoid contact with skin and eyes.
Physical properties about Benzeneethanol,2,6-dichloro- are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 52.09; (6)ACD/BCF (pH 7.4): 52.09; (7)ACD/KOC (pH 5.5): 589.51; (8)ACD/KOC (pH 7.4): 589.51; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 47.12 cm3; (14)Molar Volume: 143.6 cm3; (15)Surface Tension: 45.1 dyne/cm; (16)Density: 1.329 g/cm3; (17)Flash Point: 117.2 °C; (18)Enthalpy of Vaporization: 54.41 kJ/mol; (19)Boiling Point: 276.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00229 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C(=C1)Cl)CCO)Cl
2. InChI: InChI=1S/C8H8Cl2O/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5H2
3. InChIKey: ZBQPKQUIKJDGIX-UHFFFAOYSA-N