trans-3-(Trifluoromethyl)cinnamoyl chloride - CAS 64379-91-5
Catalog: |
BB032455 |
Product Name: |
trans-3-(Trifluoromethyl)cinnamoyl chloride |
CAS: |
64379-91-5 |
Synonyms: |
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride |
IUPAC Name: | (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride |
Description: | trans-3-(Trifluoromethyl)cinnamoyl chloride (CAS# 64379-91-5) is a useful research chemical compound. |
Molecular Weight: | 234.60 |
Molecular Formula: | C10H6ClF3O |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)Cl |
InChI: | InChI=1S/C10H6ClF3O/c11-9(15)5-4-7-2-1-3-8(6-7)10(12,13)14/h1-6H/b5-4+ |
InChI Key: | HGQSKTQYEWJJRZ-SNAWJCMRSA-N |
Boiling Point: | 148 ℃ / 60 mmHg (lit.) |
Density: | 1.372 g/mL at 25℃(lit.) |
MDL: | MFCD00075514 |
LogP: | 3.48400 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2011105476-A1 | Substituted 7,8-dihydro-1hpyrimido[4,5-b]diazepin-4-amines are novel kinase inhibitors | 20091029 |
EP-2170805-A2 | Methods of synthesizing cinacalcet and salts thereof | 20070621 |
EP-2170805-B1 | Methods of synthesizing cinacalcet and salts thereof | 20070621 |
JP-2010530428-A | Method for synthesizing cinacalcet and its salts | 20070621 |
JP-5358566-B2 | Method for synthesizing cinacalcet and its salts | 20070621 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 234.0059270 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.0059270 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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