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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
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Bulk Quote| IUPAC name | acetyl chloride |
| canonical smiles | CC(=O)Cl |
| inchi | InChI=1S/C2H3ClO/c1-2(3)4/h1H3 |
| inchi key | WETWJCDKMRHUPV-UHFFFAOYSA-N |
| molecular formula | C2H3ClO |
| synonyms | |
| Compound Description |
| Molecular Weight: | 78.50 g/mol |
| XLogP3: | 0.8 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptor Count: | 1 |
| Rotatable Bond Count: | 0 |
| Exact Mass: | 77.9872424 g/mol |
| Monoisotopic Mass: | 77.9872424 g/mol |
| Topological Polar Surface Area: | 17.1 Ų |
| Heavy Atom Count: | 4 |
| Formal Charge: | 0 |
| Complexity: | 33 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| Related Compounds |
| hazard signal | Danger |
| hazard classes and categories | |
| precautionary statement codes | P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P390, P403+P235, P405, P406, and P501 |
| hazard statements | |
| hazards summary | Corrosive to skin. A corrosive substance that can cause pulmonary edema. Reacts violently with water. Can cause severe burns. Human inhalation of 2 ppm for 1 minute causes other changes in olfaction and lungs, thorax, or respiration. Causes spastic paralysis, excitement, and other changes in lungs, thorax, or respiration in oral lethal-dose studies of rats. See the Process, Toxic Gas from Spilling Chemical in Water. |
| toxicity summary | IDENTIFICATION AND USE: Acetyl chloride is a colorless fuming liquid. It is used as an acetylating agent, reagent in testing for cholesterol, and for determination of water in organic liquids. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: In the Ames test using Salmonella culture strains TA97 TA100 TA1535 TA1537 acetyl chloride was not mutagenic with or without exogenous metabolic activation. Genotoxic activity of acetyl chloride was investigated in both somatic and germ cells of Drosophila melanogaster. Only marginal genotoxic activities were observed in these cells. |
| symptoms | Inhalation Symptoms: Cough. Sore throat. Burning sensation. Shortness of breath. Skin Symptoms: Redness. Pain. Burning sensation. Blisters. Serious skin burns. Eye Symptoms: Redness. Pain. Severe burns. Ingestion Symptoms: Cough. Sore throat. Burning sensation behind the breastbone. Abdominal pain. Shortness of breath. |
