3-(Trifluoromethyl)cinnamic acid, predominantly trans - CAS 779-89-5
Catalog: |
BB036095 |
Product Name: |
3-(Trifluoromethyl)cinnamic acid, predominantly trans |
CAS: |
779-89-5 |
Synonyms: |
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid |
IUPAC Name: | (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid |
Description: | Had sedative hypnotic activity in mice, showing potent inhibition of spontaneous motility. |
Molecular Weight: | 216.16 |
Molecular Formula: | C10H7F3O2 |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)O |
InChI: | InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+ |
InChI Key: | KSBWHDDGWSYETA-SNAWJCMRSA-N |
Boiling Point: | 289.6 °C at 760 mmHg |
Purity: | > 99.0 % (T) |
Density: | 1.363 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00004393 |
LogP: | 2.80320 |
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-113416199-A | Lycorine beta-aryl acrylate derivative and preparation method and application thereof | 20210720 |
CN-112608275-A | Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preparation and prevention and treatment of agricultural diseases | 20201229 |
CN-112708054-A | Polycarboxylate superplasticizer for concrete member and preparation method thereof | 20201030 |
CN-112708056-A | Viscosity-reducing polycarboxylate superplasticizer for concrete member and preparation method thereof | 20201030 |
CN-111704577-A | Preparation method of cinacalcet hydrochloride | 20200622 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 216.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.03981395 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS