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| CAS No.: | 14405-03-9 |
|---|---|
| Name: | 2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C15H10Cl3NO2 |
| Molecular Weight: | 342.609 |
| Synonyms: | Acetanilide,2,4'-dichloro-2'-(o-chlorobenzoyl)- (7CI,8CI);Ro 97-1274; |
| EINECS: | 238-376-5 |
| Density: | 1.452 g/cm3 |
| Melting Point: | 159-161 °C(lit.) |
| Boiling Point: | 565 °C at 760 mmHg |
| Flash Point: | 295.5 °C |
| Appearance: | yellow solid. |
| Hazard Symbols: |
 Xi C
|
| Risk Codes: | R34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 46.17000 |
| LogP: | 4.47470 |
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Specification
The 2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide with cas registry number of 14405-03-9, belongs to the following product categorie: Aromatic Benzophenones & Derivatives (substituted). Its systematic name is 2-chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide.
Physical properties about this chemical are: (1)ACD/LogP: 5.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.05; (4)ACD/LogD (pH 7.4): 5.05; (5)ACD/BCF (pH 5.5): 4071.57; (6)ACD/BCF (pH 7.4): 4071.07; (7)ACD/KOC (pH 5.5): 13349.39; (8)ACD/KOC (pH 7.4): 13347.72; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 84.95 cm3; (15)Molar Volume: 235.9 cm3; (16)Polarizability: 33.67×10-24cm3; (17)Surface Tension: 54.4 dyne/cm; (18)Enthalpy of Vaporization: 84.88 kJ/mol; (19)Vapour Pressure: 8.66E-13 mmHg at 25°C.
Uses of 2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide: it can be used to produce N,N'-methylenebis[3-(2'-o-chlorobenzoyl-4'-chloro)phenyl]-4-imidazolidinone with 1,3,5,7-tetraaza-adamantane. This reaction will need solvent aq. ethanol. The yield is about 86%.
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R34:Causes burns. S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
When you are using this chemical, please be cautious about it as the following:
The 2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide will causes burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(c1ccccc1Cl)c2cc(Cl)ccc2NC(=O)CCl;
(2)InChI:InChI=1/C15H10Cl3NO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20) ;
(3)InChIKey:VCBRYYAFVLDIHK-UHFFFAOYAD;
(4)Std. InChI:InChI=1S/C15H10Cl3NO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20); (5)Std. InChIKey:VCBRYYAFVLDIHK-UHFFFAOYSA-N