1-[4-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid - CAS 886366-13-8
Catalog: |
BB039068 |
Product Name: |
1-[4-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid |
CAS: |
886366-13-8 |
Synonyms: |
1-[4-(trifluoromethyl)phenyl]-1-cyclopropanecarboxylic acid; 1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid |
IUPAC Name: | 1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid |
Description: | 1-[4-(Trifluoromethyl)phenyl]cyclopropanecarboxylic Acid (CAS# 886366-13-8) is a useful research chemical. |
Molecular Weight: | 230.18 |
Molecular Formula: | C11H9F3O2 |
Canonical SMILES: | C1CC1(C2=CC=C(C=C2)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C11H9F3O2/c12-11(13,14)8-3-1-7(2-4-8)10(5-6-10)9(15)16/h1-4H,5-6H2,(H,15,16) |
InChI Key: | VVUFHHAYGVZPTQ-UHFFFAOYSA-N |
Boiling Point: | 314.1 °C at 760 mmHg |
Density: | 1.424 g/cm3 |
LogP: | 2.82160 |
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-2021130492-A1 | Carboxy derivatives with antiinflammatory properties | 20191223 |
WO-2020216378-A1 | Heterocyclic compound, application thereof, and composition containing same | 20190426 |
CN-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 20190426 |
WO-2020203609-A1 | Use of t-type calcium channel blocker for treating pruritus | 20190329 |
WO-2020203610-A1 | Use of t-type calcium channel blocker for treating rheumatoid arthritis | 20190329 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.05546401 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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