1,1,1-Trifluoro-3-methyl-2-butanol - CAS 382-02-5
Catalog: |
BB023577 |
Product Name: |
1,1,1-Trifluoro-3-methyl-2-butanol |
CAS: |
382-02-5 |
Synonyms: |
1,1,1-trifluoro-3-methylbutan-2-ol |
IUPAC Name: | 1,1,1-trifluoro-3-methylbutan-2-ol |
Description: | 1,1,1-Trifluoro-3-methyl-2-butanol (CAS# 382-02-5) is a useful research chemical. |
Molecular Weight: | 142.12 |
Molecular Formula: | C5H9F3O |
Canonical SMILES: | CC(C)C(C(F)(F)F)O |
InChI: | InChI=1S/C5H9F3O/c1-3(2)4(9)5(6,7)8/h3-4,9H,1-2H3 |
InChI Key: | FPIWJHHQCNHQIC-UHFFFAOYSA-N |
MDL: | MFCD00462511 |
LogP: | 1.56560 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021108513-A1 | Ion channel modulators | 20191126 |
EP-3628657-A1 | Production of amines via a hydroaminomethylation reaction using iminium reactants | 20180928 |
WO-2020064917-A1 | Production of amines via a hydroaminomethylation reaction using iminium reactants | 20180928 |
US-2020255428-A1 | Chemical compounds | 20171005 |
US-2019367510-A1 | Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof | 20161128 |
Complexity: | 86.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.06054939 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.06054939 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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