4-Bromo-2-(trifluoromethyl)thiophene - CAS 1194374-08-7
Catalog: |
BB004499 |
Product Name: |
4-Bromo-2-(trifluoromethyl)thiophene |
CAS: |
1194374-08-7 |
Synonyms: |
4-bromo-2-(trifluoromethyl)thiophene; 4-bromo-2-(trifluoromethyl)thiophene |
IUPAC Name: | 4-bromo-2-(trifluoromethyl)thiophene |
Description: | 4-Bromo-2-(trifluoromethyl)thiophene (CAS# 1194374-08-7) is a useful research chemical. |
Molecular Weight: | 231.03 |
Molecular Formula: | C5H2BrF3S |
Canonical SMILES: | C1=C(SC=C1Br)C(F)(F)F |
InChI: | InChI=1S/C5H2BrF3S/c6-3-1-4(10-2-3)5(7,8)9/h1-2H |
InChI Key: | GTYDKQRTQVTLQC-UHFFFAOYSA-N |
LogP: | 3.52940 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2018257372-A1 | Condensed bicyclic heterocyclic-compound derivatives as pest control agents | 20170424 |
CN-110582503-A | Fused bicyclic heterocyclic compound derivatives as pest control agents | 20170424 |
EP-3615540-A1 | Condensed bicyclic heterocyclic-compound derivatives as pest control agents | 20170424 |
JP-2020517656-A | Fused bicyclic heterocyclic compound derivatives as pest control agents | 20170424 |
KR-20190141202-A | Condensed Bicyclic Heterocyclic-Compound Derivatives as Pest Control | 20170424 |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.90127 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.90127 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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