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

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

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^-24cm³; (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

Product Name

2,5-DICHLORO-4-TERT-BUTYLPHENOL

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

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