4-Chloro-3-fluorobenzotrifluoride - CAS 32137-20-5
Catalog: |
BB021194 |
Product Name: |
4-Chloro-3-fluorobenzotrifluoride |
CAS: |
32137-20-5 |
Synonyms: |
1-chloro-2-fluoro-4-(trifluoromethyl)benzene; 1-chloro-2-fluoro-4-(trifluoromethyl)benzene |
IUPAC Name: | 1-chloro-2-fluoro-4-(trifluoromethyl)benzene |
Description: | 4-Chloro-3-fluorobenzotrifluoride (CAS# 32137-20-5) is a useful research chemical. |
Molecular Weight: | 198.55 |
Molecular Formula: | C7H3ClF4 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)F)Cl |
InChI: | InChI=1S/C7H3ClF4/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H |
InChI Key: | HKBWIKAFHCGRTH-UHFFFAOYSA-N |
Boiling Point: | 146.5 °C at 760 mmHg |
Density: | 1.427 g/cm3 |
MDL: | MFCD00060646 |
LogP: | 3.49790 |
GHS Hazard Statement: | H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3581570-A1 | Carbazole-pyridine-trifluoromethylphenyl derivatives and related compounds for use as tadf luminescent emitters in oleds | 20180615 |
EP-3581570-B1 | Carbazole-pyridine-trifluoromethylphenyl derivatives and related compounds for use as tadf luminescent emitters in oleds | 20180615 |
EP-3500556-A1 | Pyridine-1-oxide derivatives and their use as factor xia inhibitors | 20160822 |
TW-201808908-A | Factor XIa inhibitor | 20160822 |
US-10143681-B2 | Factor XIa inhibitors | 20160822 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.9859404 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.9859404 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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