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Home > Encyclopedia > 3-methylpent-1-yn-3-yl 2,2,2-trichloroacetate

3-methylpent-1-yn-3-yl 2,2,2-trichloroacetate

3-methylpent-1-yn-3-yl 2,2,2-trichloroacetate structure

3-methylpent-1-yn-3-yl 2,2,2-trichloroacetate 

structure
  • CAS No:

    98491-15-7

  • Formula:

    C8H9Cl3O2

  • Chemical Name:

    3-methylpent-1-yn-3-yl 2,2,2-trichloroacetate

  • 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

3-methylpent-1-yn-3-yl 2,2,2-trichloroacetate Basic Attributes

243.5 g/mol

241.966813 g/mol

Characteristics

26.3 Ų

2.7017

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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