1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene - CAS 168971-68-4
Catalog: |
BB012507 |
Product Name: |
1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene |
CAS: |
168971-68-4 |
Synonyms: |
1-bromo-2-fluoro-4-(trifluoromethoxy)benzene; 1-bromo-2-fluoro-4-(trifluoromethoxy)benzene |
IUPAC Name: | 1-bromo-2-fluoro-4-(trifluoromethoxy)benzene |
Description: | 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene (CAS# 168971-68-4) is a useful research chemical. |
Molecular Weight: | 259.00 |
Molecular Formula: | C7H3BrF4O |
Canonical SMILES: | C1=CC(=C(C=C1OC(F)(F)F)F)Br |
InChI: | InChI=1S/C7H3BrF4O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H |
InChI Key: | KZMHSGBETSENAT-UHFFFAOYSA-N |
Boiling Point: | 158.457 °C at 760 mmHg |
Density: | 1.724 g/cm3 |
MDL: | MFCD06657548 |
LogP: | 3.48680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111454276-A | Organic compound and electroluminescent device comprising same | 20190118 |
KR-20200090633-A | Organic compounds and electroluminescent devices containing the same | 20190118 |
US-2020231602-A1 | Organic compound and electroluminescent device containing the same | 20190118 |
WO-2020140959-A1 | 6-oxo-1,6-dihydropyridazine derivative, preparation method therefor and medical use thereof | 20190104 |
TW-202039443-A | 6-oxo-1,6-dihydropyridazin derivative, a preparation method thereof and a medical use thereof | 20190104 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.93034 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.93034 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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