2,5-Bis(trifluoromethyl)benzoic acid - CAS 42580-42-7
Catalog: |
BB025177 |
Product Name: |
2,5-Bis(trifluoromethyl)benzoic acid |
CAS: |
42580-42-7 |
Synonyms: |
2,5-bis(trifluoromethyl)benzoic acid |
IUPAC Name: | 2,5-bis(trifluoromethyl)benzoic acid |
Description: | 2,5-Bis(trifluoromethyl)benzoic acid (CAS# 42580-42-7) is a useful research chemical. |
Molecular Weight: | 258.12 |
Molecular Formula: | C9H4F6O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17) |
InChI Key: | PINBPLCVZSKLTF-UHFFFAOYSA-N |
Boiling Point: | 55.2 ℃ at 760 mmHg |
Density: | 1.319 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00013249 |
LogP: | 3.42240 |
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-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
CA-3050305-A1 | Conductive three-dimensional articles | 20180724 |
EP-3599077-A2 | Conductive three-dimensional articles | 20180724 |
JP-2020015310-A | Conductive three-dimensional article | 20180724 |
KR-20200011357-A | Conductive three-dimensional articles | 20180724 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.01154834 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.01154834 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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