2-Bromo-3-fluorobenzotrifluoride - CAS 104540-42-3
Catalog: |
BB001411 |
Product Name: |
2-Bromo-3-fluorobenzotrifluoride |
CAS: |
104540-42-3 |
Synonyms: |
2-bromo-1-fluoro-3-(trifluoromethyl)benzene |
IUPAC Name: | 2-bromo-1-fluoro-3-(trifluoromethyl)benzene |
Description: | 2-Bromo-3-fluorobenzotrifluoride (CAS# 104540-42-3) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 243.00 |
Molecular Formula: | C7H3BrF4 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)Br)C(F)(F)F |
InChI: | InChI=1S/C7H3BrF4/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H |
InChI Key: | UERAGXKMOXUWPC-UHFFFAOYSA-N |
Boiling Point: | 167 °C |
Density: | 1.741 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00061243 |
LogP: | 3.60700 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020079654-A1 | Disubstituted dl aryloxybenzoh eterodi azole compounds | 20181019 |
CN-113166138-A | Disubstituted diaryloxybenzoheterodiazole compounds | 20181019 |
EP-3867333-A1 | Disubstituted dl aryloxybenzoh eterodi azole compounds | 20181019 |
WO-2019244049-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
AU-2019291490-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.93543 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.93543 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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