4-(Trifluoromethylthio)benzaldehyde - CAS 4021-50-5
Catalog: |
BB024374 |
Product Name: |
4-(Trifluoromethylthio)benzaldehyde |
CAS: |
4021-50-5 |
Synonyms: |
4-(trifluoromethylsulfanyl)benzaldehyde |
IUPAC Name: | 4-(trifluoromethylsulfanyl)benzaldehyde |
Description: | 4-(Trifluoromethylthio)benzaldehyde (CAS# 4021-50-5) is a useful research chemical. |
Molecular Weight: | 206.18 |
Molecular Formula: | C8H5F3OS |
Canonical SMILES: | C1=CC(=CC=C1C=O)SC(F)(F)F |
InChI: | InChI=1S/C8H5F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H |
InChI Key: | OPAXHVNZGUGCKW-UHFFFAOYSA-N |
Boiling Point: | 219 ℃ |
Melting Point: | 29-31 ℃ |
Purity: | 98 % |
Density: | 1.31 g/cm3 |
Appearance: | White to yellow solid or liquid |
Storage: | Room temperature. |
MDL: | MFCD00129191 |
LogP: | 3.11100 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021155106-A1 | Pyridine compounds for controlling invertebrate pests | 20200130 |
WO-2017060488-A1 | New trpa1 antagonists | 20151009 |
JP-2017102420-A | Resist underlayer film material and pattern forming method | 20150518 |
JP-6502885-B2 | Resist underlayer film material and pattern formation method | 20150518 |
KR-102060854-B1 | Resist under layer film composition and patterning process | 20150518 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.00132044 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.00132044 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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