CAS No.35999-20-3,3-Chloro-1-(4-methoxyphenyl)propan-1-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35999-20-3
Name:	3-Chloro-1-(4-methoxyphenyl)propan-1-one
Article Data:	25

Formula:	C₁₀H₁₁ClO₂
Molecular Weight:	198.649
Synonyms:	2-Chloro-4'-Methoxypropiophenone;4'-Methoxy-3-chloropropiophenone;beta-Chloro-4-methoxypropiophenone;
Density:	1.149 g/cm³
Melting Point:	61.0 to 65.0 °C
Boiling Point:	330 °C at 760 mmHg
Flash Point:	143.7 °C
PSA:	26.30000
LogP:	2.50680

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Specification

The IUPAC name of 3-Chloro-1-(4-methoxyphenyl)propan-1-one is 3-chloro-1-(4-methoxyphenyl)propan-1-one. With the CAS registry number 35999-20-3, it is also named as beta-Chloro-4-methoxypropiophenone. In addition, its molecular formula is C₁₀H₁₁ClO₂ and molecular weight is 198.65.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)XLogP3: 2.3; (7)Rotatable Bond Count: 4; (8)Tautomer Count: 2; (9)Exact Mass: 198.044757; (10)MonoIsotopic Mass: 198.044757; (11)Topological Polar Surface Area: 26.3; (12)Heavy Atom Count :13; (13)Complexity: 162; (14)Polar Surface Area: 26.3 Å²; (15)Index of Refraction: 1.518; (16)Molar Refractivity: 52.44 cm³; (17)Molar Volume: 172.8 cm³; (18)Polarizability: 20.78×10^-24cm³; (19)Surface Tension: 37.3 dyne/cm; (20)Density: 1.149 g/cm³; (21)Flash Point: 143.7 °C; (22)Enthalpy of Vaporization: 57.26 kJ/mol; (23)Boiling Point: 330 °C at 760 mmHg; (24)Vapour Pressure: 0.000171 mmHg at 25 °C.

Preparation of 3-Chloro-1-(4-methoxyphenyl)propan-1-one: this chemical can be prepared by the reaction of methoxybenzene with 3-chloro-propionyl chloride.

This reaction needs AlCl₃ and CS₂ for 3 hours. The yield is 88 %.

Uses of 3-Chloro-1-(4-methoxyphenyl)propan-1-one: it can react with 4-(4-methoxy-phenyl)-quinolin-8-ylamine to get 4,7-bis-(4-methoxy-phenyl)-[1,10]phenanthroline.

This reaction needs aq. As₂O₅and cc. H₃PO₄ at temperature of 140 °C for 1 hour. The yield is 67 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: ClCCC(=O)c1ccc(OC)cc1
(2)InChI: InChI=1/C10H11ClO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5H,6-7H2,1H3
(3)InChIKey: FJBUZSAECLLZOL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H11ClO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5H,6-7H2,1H3
(5)Std. InChIKey: FJBUZSAECLLZOL-UHFFFAOYSA-N