3,4,5-Trifluorocinnamic acid - CAS 152152-19-7
Catalog: |
BB010756 |
Product Name: |
3,4,5-Trifluorocinnamic acid |
CAS: |
152152-19-7 |
Synonyms: |
(E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid |
Description: | 3,4,5-Trifluorocinnamic acid (CAS# 152152-19-7) is a useful research chemical. |
Molecular Weight: | 202.13 |
Molecular Formula: | C9H5F3O2 |
Canonical SMILES: | C1=C(C=C(C(=C1F)F)F)C=CC(=O)O |
InChI: | InChI=1S/C9H5F3O2/c10-6-3-5(1-2-8(13)14)4-7(11)9(6)12/h1-4H,(H,13,14)/b2-1+ |
InChI Key: | PHIWFMZBVZFEQJ-OWOJBTEDSA-N |
Boiling Point: | 273.8 °C at 760 mmHg |
Melting Point: | 195-199 °C |
Purity: | 98 % |
Density: | 1.468 g/cm3 |
MDL: | MFCD00083529 |
LogP: | 2.20170 |
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 |
CN-111304931-A | Wear-resistant flame-retardant floor leather for vehicles and preparation method thereof | 20200213 |
CN-108341801-A | Polyfluoro substitution virtue connection heterocyclic derivative, the pharmaceutical composition containing it and its application | 20170124 |
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CN-105367495-A | Piper longum amide analogue containing seven-membered lactam ring and preparation method and application thereof | 20140829 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 202.02416388 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.02416388 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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