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Acetyl chloride,2-(4-chlorophenoxy)-

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Acetyl chloride,2-(4-chlorophenoxy)-

EINECS 223-923-2
CAS No. 4122-68-3 Density 1.363 g/cm3
PSA 26.30000 LogP 2.48420
Solubility N/A Melting Point 18.8 °C(lit.)
Formula C8H6Cl2O2 Boiling Point 264.5 °C at 760 mmHg
Molecular Weight 205.04 Flash Point 112.9 °C
Transport Information UN 3265 8/PG 2 Appearance clear colorless to yellow liquid
Safety 23-26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 4122-68-3 (4-CHLOROPHENOXYACETYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

Acetylchloride, (4-chlorophenoxy)- (9CI);Acetyl chloride, (p-chlorophenoxy)-(6CI,7CI,8CI);(4-Chlorophenoxy)acetic acid chloride;(4-Chlorophenoxy)acetylchloride;(p-Chlorophenoxy)acetyl chloride;2-(4-Chlorophenoxy)acetyl chloride;NSC 20549;

Article Data 50

Acetyl chloride,2-(4-chlorophenoxy)- Specification

The CAS register number of Acetyl chloride,2-(4-chlorophenoxy)- is 4122-68-3. It also can be called as p-Chlorophenoxyacetyl chloride and the IUPAC name about this chemical is 2-(4-chlorophenoxy)acetyl chloride. The molecular formula about this chemical is C8H6Cl2O2 and the molecular weight is 205.04. It belongs to the following product categories which include Biochemistry; Nucleosides, Nucleotides & Related Reagents; Protecting Agents for Hydroxyl and Amino Groups; Protecting Agents, Phosphorylating Agents & Condensing Agents; Acid Halides; Carbonyl Compounds; Organic Building Blocks and so on.

Physical properties about Acetyl chloride,2-(4-chlorophenoxy)- are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.76; (4)ACD/BCF (pH 5.5): 73.78; (5)ACD/BCF (pH 7.4): 73.78; (6)ACD/KOC (pH 5.5): 756.25; (7)ACD/KOC (pH 7.4): 756.25; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 47.33 cm3; (13)Molar Volume: 150.3 cm3; (14)Polarizability: 18.76x10-24cm3; (15)Surface Tension: 42.1 dyne/cm; (16)Flash Point: 112.9 °C; (17)Enthalpy of Vaporization: 50.24 kJ/mol; (18)Boiling Point: 264.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00965 mmHg at 25°C.

Uses of Acetyl chloride,2-(4-chlorophenoxy)-: it can be used to produce p-chlorophenoxyacetylurea with urea. This reaction will need reagent H2SO4.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. If you want to use this chemical, please do not breathe vapour. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OCC(Cl)=O)cc1
(2)InChI: InChI=1/C8H6Cl2O2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2
(3)InChIKey: VRBVHQUSAOKVDH-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H6Cl2O2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2
(5)Std. InChIKey: VRBVHQUSAOKVDH-UHFFFAOYSA-N

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