3-Buten-2-one,4-(4-chlorophenyl)- supplier

Name
4-CHLOROBENZYLIDENEACETONE
EINECS 221-610-5
CAS No. 3160-40-5
Article Data68
CAS DataBase
Density 1.157 g/cm³
Solubility
Melting Point 55 °C
Formula C₁₀H₉ClO
Boiling Point 302 °C at 760 mmHg
Molecular Weight 180.634
Flash Point 148.7 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 17.07000
LogP 2.94220

3-Buten-2-one,4-(4-chlorophenyl)- 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

Product Name

4-CHLOROBENZYLIDENEACETONE

3-Buten-2-one,4-(4-chlorophenyl)- Specification

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