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4-Fluorocinnamoyl chloride

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Name

4-Fluorocinnamoyl chloride

EINECS N/A
CAS No. 13565-08-7 Density 1.289 g/cm3
PSA 17.07000 LogP 2.60430
Solubility N/A Melting Point 42-46 °C(lit.)
Formula C9H6ClFO Boiling Point 256.9 °C at 760 mmHg
Molecular Weight 184.597 Flash Point 109.2 °C
Transport Information UN 2928 6.1/PG 2 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 25-34
Molecular Structure Molecular Structure of 13565-08-7 (4-FLUOROCINNAMOYL CHLORIDE  97) Hazard Symbols ToxicT
Synonyms

2-Propenoylchloride, 3-(4-fluorophenyl)-, (E)-;Cinnamoyl chloride, p-fluoro-, (E)- (8CI);(E)-3-(4-Fluorophenyl)-2-propenoyl chloride;(E)-4-Fluorocinnamoyl chloride;

Article Data 83

4-Fluorocinnamoyl chloride Specification

The 4-Fluorocinnamoyl chloride, with the CAS registry number 13565-08-7, is also known as 2-Propenoyl chloride, 3-(4-fluorophenyl)-, (2E)-. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C9H6ClFO and molecular weight is 184.59. Its systematic name is called (2E)-3-(4-fluorophenyl)prop-2-enoyl chloride.

Physical properties of 4-Fluorocinnamoyl chloride: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 158.79; (6)ACD/BCF (pH 7.4): 158.79; (7)ACD/KOC (pH 5.5): 1309.08; (8)ACD/KOC (pH 7.4): 1309.08; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 47.01 cm3; (14)Molar Volume: 143.1 cm3; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 1.289 g/cm3; (17)Flash Point: 109.2 °C; (18)Enthalpy of Vaporization: 49.44 kJ/mol; (19)Boiling Point: 256.9 °C at 760 mmHg; (20)Vapour Pressure: 0.015 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels cause damage to health. It is toxic if swallowed. In addition, it may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(/C=C/C(Cl)=O)cc1
(2)InChI: InChI=1/C9H6ClFO/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6H/b6-3+
(3)InChIKey: GLBIKPKWQDIQCJ-ZZXKWVIFBY

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