4-(Trifluoromethyl)-1-indanone - CAS 68755-42-0
Catalog: |
BB033625 |
Product Name: |
4-(Trifluoromethyl)-1-indanone |
CAS: |
68755-42-0 |
Synonyms: |
4-(trifluoromethyl)-2,3-dihydroinden-1-one |
IUPAC Name: | 4-(trifluoromethyl)-2,3-dihydroinden-1-one |
Description: | 4-(Trifluoromethyl)-1-indanone (CAS# 68755-42-0) is a useful research chemical. |
Molecular Weight: | 200.16 |
Molecular Formula: | C10H7F3O |
Canonical SMILES: | C1CC(=O)C2=C1C(=CC=C2)C(F)(F)F |
InChI: | InChI=1S/C10H7F3O/c11-10(12,13)8-3-1-2-7-6(8)4-5-9(7)14/h1-3H,4-5H2 |
InChI Key: | LJVBFMQEZSEGRL-UHFFFAOYSA-N |
Boiling Point: | 67-72 ℃ (0.1 mmHg) |
Melting Point: | 38-42 ℃ |
Purity: | 95 % |
Density: | 1.347 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD07772121 |
LogP: | 2.83430 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021000933-A1 | Pyrimidinone compounds as chymase inhibitors and application thereof | 20190703 |
CN-108059607-B | Sulfonylacetic acid or sulfonyl acetic acid derivative, and pharmaceutical composition, preparation method and application thereof | 20161109 |
CA-2929753-A1 | Substituted uracils and use thereof | 20131108 |
EP-3066097-A1 | Salts of 1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1r)- 4-(trifluormethyl)-2,3-dihydro-1h-inden-1-yl]-1,2,3,4-tetrahydropyrimidin-5-carboxylic acid | 20131108 |
EP-3066097-B1 | Salts of 1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1r)-4-(trifluormethyl)-2,3-dihydro-1h-inden-1-yl]-1,2,3,4-tetrahydropyrimidin-5-carbonic acid | 20131108 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.04489933 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.04489933 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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