4-(Trifluoromethyl)mandelic acid - CAS 395-35-7
Catalog: |
BB024020 |
Product Name: |
4-(Trifluoromethyl)mandelic acid |
CAS: |
395-35-7 |
Synonyms: |
2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid |
IUPAC Name: | 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid |
Description: | 4-(Trifluoromethyl)mandelic acid (CAS# 395-35-7) is a useful research chemical. |
Molecular Weight: | 220.15 |
Molecular Formula: | C9H7F3O3 |
Canonical SMILES: | C1=CC(=CC=C1C(C(=O)O)O)C(F)(F)F |
InChI: | InChI=1S/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15) |
InChI Key: | SDGXYUQKJPFLDG-UHFFFAOYSA-N |
Boiling Point: | 324.2 °C at 760 mmHg |
Melting Point: | 130-134 °C |
Purity: | 95 % |
Density: | 1.481 g/cm3 |
Appearance: | White to almost white powder |
MDL: | MFCD00009724 |
LogP: | 1.82340 |
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 |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2020243423-A1 | Tead inhibitors and uses thereof | 20190531 |
CN-113355299-A | Ketoacid reductase, gene, engineering bacterium and application in synthesis of chiral aromatic 2-hydroxy acid | 20180322 |
CN-113355367-A | Application of ketoacid reductase in synthesis of chiral aromatic 2-hydroxy acid | 20180322 |
US-10857517-B2 | Porous chiral materials and uses thereof | 20160822 |
Complexity: | 231 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.03472857 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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