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Propanoyl chloride,2-phenoxy-

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Name

Propanoyl chloride,2-phenoxy-

EINECS 204-536-8
CAS No. 122-35-0 Density 1.188g/cm3
PSA 26.30000 LogP 2.21930
Solubility N/A Melting Point N/A
Formula C9H9ClO2 Boiling Point 237.5 °C at 760 mmHg
Molecular Weight 184.622 Flash Point 88.3 °C
Transport Information UN3265 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 122-35-0 (2-PHENOXYPROPIONYL CHLORIDE) Hazard Symbols R34:Causes burns.;
Synonyms

Propionylchloride, 2-phenoxy- (6CI,7CI,8CI);2-Phenoxypropanoyl chloride;2-Phenoxypropionic acid chloride;2-Phenoxypropionyl chloride;NSC 9825;a-Phenoxypropionyl chloride;

Article Data 20

Propanoyl chloride,2-phenoxy- Specification

The Propanoyl chloride,2-phenoxy-, with CAS registry number 122-35-0, has the systematic name of 2-phenoxypropanoyl chloride. Besides this, it is also called α-Phenoxypropionyl chloride. And the chemical formula of this chemical is C9H9ClO2.

Physical properties of Propanoyl chloride,2-phenoxy-: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.77; (6)ACD/BCF (pH 7.4): 40.77; (7)ACD/KOC (pH 5.5): 494.62; (8)ACD/KOC (pH 7.4): 494.62; (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: 1.517; (14)Molar Refractivity: 47.03 cm3; (15)Molar Volume: 155.3 cm3; (16)Polarizability: 18.64×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 88.3 °C; (20)Enthalpy of Vaporization: 47.43 kJ/mol; (21)Boiling Point: 237.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0447 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-phenoxy-propionic acid. This reaction will need reagent PCl5. The reaction temperature is 80 - 90 ℃.

When you are using this chemical, please be cautious about it as the following:
The Propanoyl chloride,2-phenoxy- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)C(Oc1ccccc1)C
(2)InChI: InChI=1/C9H9ClO2/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3
(3)InChIKey: BDSSZTXPZHIYHM-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H9ClO2/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3
(5)Std. InChIKey: BDSSZTXPZHIYHM-UHFFFAOYSA-N

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