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CAS No.: | 933-78-8 |
---|---|
Name: | 2,3,5-TRICHLOROPHENOL |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C6H3Cl3O |
Molecular Weight: | 197.448 |
Synonyms: | 2,3,5-Trichlorophenol;2,3,5-trichlorophenol;2,3,5-TCP solution;2,3,5-Trichlorophenol solution; |
EINECS: | 213-272-2 |
Density: | 1.596 g/cm3 |
Melting Point: | 57-60 °C |
Boiling Point: | 250.2 °C at 760 mmHg |
Flash Point: | 105.1 °C |
Solubility: | Insoluble in water. |
Appearance: | Long colorless needles or white chalky solid. |
Hazard Symbols: | Xn;N;F |
Risk Codes: | 51/53-36/37/38-20/21/22-11 |
Safety: | 36/37/39-26-61 |
PSA: | 20.23000 |
LogP: | 3.35240 |
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The Phenol,2,3,5-trichloro-, with the CAS registry number 933-78-8 and EINECS registry number 213-272-2, has the systematic name of 2,3,5-trichlorophenol. It is a kind of long colorless needles or white chalky solid, and belongs to the following product categories: Alpha Sort; Chemical Class; ChloroAnalytical Standards; Halogenated; PhenolsVolatiles/ Semivolatiles; TP - TZ; T-ZAlphabetic. And the molecular formula of the chemical is C6H3Cl3O.
The characteristics of Phenol,2,3,5-trichloro- are as followings: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 344.07; (6)ACD/BCF (pH 7.4): 48.19; (7)ACD/KOC (pH 5.5): 2224.48; (8)ACD/KOC (pH 7.4): 311.54; (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: 1.608; (14)Molar Refractivity: 42.81 cm3; (15)Molar Volume: 123.7 cm3; (16)Polarizability: 16.97×10-24cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.596 g/cm3; (19)Flash Point: 105.1 °C; (20)Enthalpy of Vaporization: 50.72 kJ/mol; (21)Boiling Point: 250.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0139 mmHg at 25°C.
Uses of Phenol,2,3,5-trichloro-: It can react with bis-(2,4-dichloro-phenyl)-iodonium ; chloride to produce 2,2',3,4',5-Pentachlorobiphenyl ether. This reaction will need reagent Substitution, and the yield is about 60%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(O)cc(Cl)cc1Cl
(2)InChI: InChI=1/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
(3)InChIKey: WWGQHTJIFOQAOC-UHFFFAOYAF