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4-Methoxycinnamoyl chloride

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Name

4-Methoxycinnamoyl chloride

EINECS N/A
CAS No. 34446-64-5 Density 1.207 g/cm3
PSA 26.30000 LogP 2.47380
Solubility N/A Melting Point 49-50 °C
Formula C10H9ClO2 Boiling Point 317℃
Molecular Weight 196.633 Flash Point 118℃
Transport Information UN 3261 8/PG 2 Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 34446-64-5 (4-METHOXYCINNAMOYL CHLORIDE) Hazard Symbols N/A
Synonyms

p-Methoxycinnamoyl chloride;p-Methoxycinnamic acid chloride;p-Methoxycinnnamoyl chloride;4-Methoxycinnamic acid chloride;Cinnamoylchloride, p-methoxy- (7CI,8CI);

Article Data 182

4-Methoxycinnamoyl chloride Specification

The 2-Propenoyl chloride,3-(4-methoxyphenyl)-, with the CAS registry number of 34446-64-5, is also known as 4-Methoxycinnamoyl chloride and (E)-3-(4-Methoxy-phenyl)-acryloyl chloride. This chemical's molecular formula is C10H9ClO2 and molecular weight is 196.63.

Physical properties about are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 142; (6)ACD/BCF (pH 7.4): 142; (7)ACD/KOC (pH 5.5): 1209; (8)ACD/KOC (pH 7.4): 1209; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 53.7 cm3; (15)Molar Volume: 162.916 cm3; (16)Surface Tension: 40.273 dyne/cm; (17)Density: 1.207 g/cm3; (18)Flash Point: 117.857 °C; (19)Enthalpy of Vaporization: 55.86 kJ/mol; (20)Boiling Point: 317.207 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 2-Propenoyl chloride,3-(4-methoxyphenyl)-: this chemical is prepared by reaction of Oxalyl dichloride with 3t-(4-Methoxy-phenyl)-acrylic acid at ambient temperature. The reaction needs solvent Toluene. The reaction time is 20 hours. The yield is about 95 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-(p-Methoxy-trans-cinnamoyl)-imidazol at ambient temperature. The reaction needs reagent Et3N and solvent Tetrahydrofuran. The reaction time is 1 hour. The yield is about 80 %.

 

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)\C=C\c1ccc(OC)cc1
(2) InChI: InChI=1/C10H9ClO2/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3/b7-4+
(3) InChIKey: CGOJOQBYEAVATL-QPJJXVBHBC

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