3,4,5-Trifluorobenzaldehyde - CAS 132123-54-7
Catalog: |
BB007547 |
Product Name: |
3,4,5-Trifluorobenzaldehyde |
CAS: |
132123-54-7 |
Synonyms: |
3,4,5-trifluorobenzaldehyde |
IUPAC Name: | 3,4,5-trifluorobenzaldehyde |
Description: | 3,4,5-Trifluorobenzaldehyde (CAS# 132123-54-7) is a useful research chemical. |
Molecular Weight: | 160.09 |
Molecular Formula: | C7H3F3O |
Canonical SMILES: | C1=C(C=C(C(=C1F)F)F)C=O |
InChI: | InChI=1S/C7H3F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H |
InChI Key: | NLAVHUUABUFSIG-UHFFFAOYSA-N |
Boiling Point: | 174 °C |
Melting Point: | 25.3 °C |
Purity: | 98 % |
Density: | 1.42 g/cm3 |
Appearance: | Clear colorless to slightly yellow liquid |
Storage: | Refrigerator (+4 °C) |
MDL: | MFCD00083523 |
LogP: | 1.91640 |
GHS Hazard Statement: | H301 (82.61%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113149928-A | Fluoro-1, 2, 4-oxadiazole-containing compound and preparation method and application thereof | 20210509 |
US-2021292301-A1 | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 20200213 |
WO-2021160718-A1 | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 20200213 |
CN-111253385-A | Heterocyclic compound, preparation method and application | 20200212 |
CN-111171064-A | Azafluoroboric dipyrrole compound, preparation method thereof and application of aza fluoboric dipyrrole compound as Fyn kinase inhibitor | 20200109 |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.01359920 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.01359920 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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