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Basic Information
CAS No.: 1520-57-6
Name: ACETYL CHLORIDE-1-13C
Article Data: 17
Molecular Structure:
Molecular Structure of 1520-57-6 (ACETYL CHLORIDE-1-13C)
Formula: C13CH3ClO
Molecular Weight: 79.4872
Synonyms: Acetylchloride-1-13C;
Density: 1.12 g/cm3
Melting Point: -112 °C(lit.)
Boiling Point: 52 °C(lit.)
Flash Point: 40 °F
Hazard Symbols: FlammableF; CorrosiveC
Risk Codes: 11-14-34
Safety: 9-16-23-45
PSA: 17.07000
LogP: 0.77170
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Specification

The Acetyl-1-13C chloride(7CI,9CI), with the CAS registry number 1520-57-6, is also called Acetyl chloride-1-13C. It belongs to the product categories of Alphabetical Listings and Stable Isotopes. And the molecular formula of this chemical is C13CH3ClO.

The physical properties of Acetyl-1-13C chloride(7CI,9CI) are as following: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: Å2; (5)Index of Refraction: 1.379; (6)Molar Refractivity: 16.19 cm3; (7)Molar Volume: 70 cm3; (8)Polarizability: 6.41×10-24cm3; (9)Surface Tension: 24.1 dyne/cm; (10)Density: 1.12 g/cm3.

Uses of Acetyl-1-13C chloride(7CI,9CI): It can react with octan-1-ol to produce [1-13C]-octyl acetate. This reaction will need reagent pyridine, and the solvent CH2Cl2. The reaction time is 3 hours with temperature of 0°C, and the yield is about 97%.

Acetyl-1-13C chloride(7CI,9CI) can react with octan-1-ol to produce [1-13C]-octyl acetate

You should be cautious while dealing with this chemical. It is a kind of highly flammable chemical which may cause burns. And it may react violently with water. Therefore, you had better take the following instructions: Keep container in a well-ventilated place; Keep away from sources of ignition - No smoking; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Cl
(2)InChI: InChI=1/C2H3ClO/c1-2(3)4/h1H3/i2+1
(3)InChIKey: WETWJCDKMRHUPV-VQEHIDDOEW