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CAS No.: | 3160-40-5 |
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Name: | 4-CHLOROBENZYLIDENEACETONE |
Article Data: | 68 |
Molecular Structure: | |
Formula: | C10H9ClO |
Molecular Weight: | 180.634 |
Synonyms: | 3-Buten-2-one,4-(p-chlorophenyl)- (6CI,7CI,8CI);(4-Chlorobenzylidene)acetone;(p-Chlorobenzylidene)acetone;1-(p-Chlorophenyl)-1-buten-3-one;4-(4-Chlorophenyl)-3-buten-2-one;4-(p-Chlorophenyl)-3-buten-2-one;4-Chlorobenzalacetone;4'-Chlorobenzylideneacetone;NSC 87353;p-Chlorobenzalacetone; |
EINECS: | 221-610-5 |
Density: | 1.157 g/cm3 |
Melting Point: | 55 °C |
Boiling Point: | 302 °C at 760 mmHg |
Flash Point: | 148.7 °C |
Safety: | 22-24/25 |
PSA: | 17.07000 |
LogP: | 2.94220 |
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The CAS register number of 3-Buten-2-one,4-(4-chlorophenyl)- is 3160-40-5. It also can be called as 4-(4-Chlorophenyl)-3-buten-2-one and the IUPAC name about this chemical is (E)-4-(4-chlorophenyl)but-3-en-2-one. The molecular formula about this chemical is C10H9ClO and the molecular weight is 180.63. It belongs to the following product categories which include C10; Carbonyl Compounds; Ketones and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.
Physical properties about 3-Buten-2-one,4-(4-chlorophenyl)- are: (1)ACD/LogP: 2.70; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 17.07Å2; (5)Index of Refraction: 1.577; (6)Molar Refractivity: 51.69 cm3; (7)Molar Volume: 155.9 cm3; (8)Polarizability: 20.49x10-24cm3; (9)Surface Tension: 39.4 dyne/cm; (10)Flash Point: 148.7 °C; (11)Enthalpy of Vaporization: 54.22 kJ/mol; (12)Boiling Point: 302 °C at 760 mmHg; (13)Vapour Pressure: 0.00102 mmHg at 25°C.
Uses of p-Chloropropiophenone: it can be used to produce 2-[2-(4-chloro-phenyl)-vinyl]-[1,8]naphthyridine with 2-amino-pyridine-3-carbaldehyde at heating. This reaction will need reagent aq. KOH and solvent ethanol with reaction time of 5 hours. The yield is about 84%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(/C=C/C(=O)C)cc1
(2)InChI: InChI=1/C10H9ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+
(3)InChIKey: UUKRKWJGNHNTRG-NSCUHMNNBN
(4)Std. InChI: InChI=1S/C10H9ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+
(5)Std. InChIKey: UUKRKWJGNHNTRG-NSCUHMNNSA-N