2',3',4'-Trichloroacetophenone supplier

Name
2',3',4'-TRICHLOROACETOPHENONE
EINECS 237-092-9
CAS No. 13608-87-2
Density 1.425 g/cm³
Solubility
Melting Point 59-64 °C(lit.)
Formula C₈H₅Cl₃O
Boiling Point 297.5 °C at 760 mmHg
Molecular Weight 223.486
Flash Point 124.5 °C
Transport Information
Appearance beige to ochre or gold crystalline powder
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Acetophenone,2',3',4'-trichloro- (8CI);1-(2,3,4-Trichlorophenyl)ethanone;2,3,4-Trichloroacetophenone;2',3',4'-Trichloroacetophenone;
PSA 17.07000
LogP 3.84940

2',3',4'-Trichloroacetophenone Specification

The Ethanone,1-(2,3,4-trichlorophenyl)-, with CAS registry number 13608-87-2, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)C7 to C8; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 1-(2,3,4-trichlorophenyl)ethanone. This chemical is a kind of beige to ochre or gold crystalline powder. And it should be stored in cool, dry place.

Physical properties of Ethanone,1-(2,3,4-trichlorophenyl)-: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 219.01; (6)ACD/BCF (pH 7.4): 219.01; (7)ACD/KOC (pH 5.5): 1647.85; (8)ACD/KOC (pH 7.4): 1647.85; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 50.96 cm³; (15)Molar Volume: 156.8 cm³; (16)Polarizability: 20.2×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Enthalpy of Vaporization: 53.74 kJ/mol; (19)Vapour Pressure: 0.00134 mmHg at 25°C.

Uses of Ethanone,1-(2,3,4-trichlorophenyl)-: it can be used to produce 6,7,6',7'-tetrachloro-[2,2']bi[benzo[b]thiophenylidene]-3,3'-dione. This reaction will need reagents t-BuONa, EtOSSOEt and solvent dimethylformamide. The yield is about 62%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C(=O)C)c(Cl)c1Cl
(2)InChI: InChI=1/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3
(3)InChIKey: BXJZZJYNVIDEKG-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3
(5)Std. InChIKey: BXJZZJYNVIDEKG-UHFFFAOYSA-N

Product Name

2',3',4'-TRICHLOROACETOPHENONE

2',3',4'-Trichloroacetophenone Specification

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