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CAS No.: | 52780-22-0 |
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Name: | 2,5-DICHLORO-4-TERT-BUTYLPHENOL |
Molecular Structure: | |
Formula: | C10H12Cl2O |
Molecular Weight: | 219.11 |
Synonyms: | 2,5-Dichloro-4-tert-butylphenol;4-tert-Butyl-2,5-dichlorophenol; |
Density: | 1.227 g/cm3 |
Boiling Point: | 272.6 °C at 760 mmHg |
Flash Point: | 116.2 °C |
PSA: | 20.23000 |
LogP: | 3.99650 |
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The Phenol,2,5-dichloro-4-(1,1-dimethylethyl)-, with the CAS registry number 52780-22-0, is also known as 2,5-Dichloro-4-tert-butylphenol. This chemical's molecular formula is C10H12Cl2O and molecular weight is 219.11. What's more, its systematic name is 4-tert-Butyl-2,5-dichlorophenol.
Physical properties of Phenol,2,5-dichloro-4-(1,1-dimethylethyl)- are: (1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.57; (4)ACD/LogD (pH 7.4): 4.42; (5)ACD/BCF (pH 5.5): 1744.83; (6)ACD/BCF (pH 7.4): 1226.08; (7)ACD/KOC (pH 5.5): 7267.35; (8)ACD/KOC (pH 7.4): 5106.73; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 56.31 cm3; (15)Molar Volume: 178.4 cm3; (16)Polarizability: 22.32×10-24 cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.227 g/cm3; (19)Flash Point: 116.2 °C; (20)Enthalpy of Vaporization: 53.15 kJ/mol; (21)Boiling Point: 272.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00361 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(O)c(Cl)cc1C(C)(C)C
(2)InChI: InChI=1/C10H12Cl2O/c1-10(2,3)6-4-8(12)9(13)5-7(6)11/h4-5,13H,1-3H3
(3)InChIKey: UBLDZSSBAAKNKN-UHFFFAOYSA-N