4-(2,2,2-Trifluoroethoxy)benzoic acid - CAS 27914-56-3
Catalog: |
BB050192 |
Product Name: |
4-(2,2,2-Trifluoroethoxy)benzoic acid |
CAS: |
27914-56-3 |
Synonyms: |
Benzoic acid, 4-(2,2,2-trifluoroethoxy)- |
IUPAC Name: | 4-(2,2,2-trifluoroethoxy)benzoic acid |
Description: | 4-(2,2,2-Trifluoroethoxy)benzoic acid (CAS# 27914-56-3 ) is a useful research chemical. |
Molecular Weight: | 220.15 |
Molecular Formula: | C9H7F3O3 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)O)OCC(F)(F)F |
InChI: | InChI=1S/C9H7F3O3/c10-9(11,12)5-15-7-3-1-6(2-4-7)8(13)14/h1-4H,5H2,(H,13,14) |
InChI Key: | FXWBYMLSQLQXAR-UHFFFAOYSA-N |
Boiling Point: | 272.0±40.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.385±0.06 g/cm3 (Predicted) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.03472857 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.03472857 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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