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3160-40-5

Basic Information
CAS No.: 3160-40-5
Name: 4-CHLOROBENZYLIDENEACETONE
Article Data: 68
Molecular Structure:
Molecular Structure of 3160-40-5 (4-CHLOROBENZYLIDENEACETONE)
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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Specification

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