3-methylpent-1-yn-3-yl 2,2,2-trichloroacetate
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3-methylpent-1-yn-3-yl 2,2,2-trichloroacetate
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CAS No:
98491-15-7
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Formula:
C8H9Cl3O2
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Chemical Name:
3-methylpent-1-yn-3-yl 2,2,2-trichloroacetate
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Synonyms:
98491-15-7;BRN 1709499;Trichloroacetic acid 1-ethyl-1-methyl-2-propynyl ester;ACETIC ACID, TRICHLORO-, 1-ETHYL-1-METHYL-2-PROPYNYL ESTER;4-02-00-00516 (Beilstein Handbook Reference);DTXSID70913254;3-methylpent-1-yn-3-yl trichloroacetate
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CAS No:
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Oral | Rodent - mouse | 2100 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 11,692,1956 |
Computed Properties
Molecular Weight:243.5
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:241.966813
Monoisotopic Mass:241.966813
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:248
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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pentyl 2,2,2-trichloroacetate Formula
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1-phenylpropyl 2,2,2-trichloroacetate Formula
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oxolan-2-ylmethyl 2,2,2-trichloroacetate Structure
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