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Phenol,2,5-dichloro-4-(1,1-dimethylethyl)-

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Name

Phenol,2,5-dichloro-4-(1,1-dimethylethyl)-

EINECS N/A
CAS No. 52780-22-0 Density 1.227 g/cm3
PSA 20.23000 LogP 3.99650
Solubility N/A Melting Point N/A
Formula C10H12Cl2O Boiling Point 272.6 °C at 760 mmHg
Molecular Weight 219.11 Flash Point 116.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 52780-22-0 (2,5-DICHLORO-4-TERT-BUTYLPHENOL) Hazard Symbols N/A
Synonyms

2,5-Dichloro-4-tert-butylphenol;4-tert-Butyl-2,5-dichlorophenol;

 

Phenol,2,5-dichloro-4-(1,1-dimethylethyl)- Specification

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

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