Cinnamoyl chloride - CAS 102-92-1
Catalog: |
BB000968 |
Product Name: |
Cinnamoyl chloride |
CAS: |
102-92-1 |
Synonyms: |
2-Propenoyl chloride, 3-phenyl-; 3-Phenyl-2-propenoyl chloride; 3-Phenylacryloyl chloride; 3-Phenylpropenoyl chloride; Benzylideneacetyl chloride; Cinnamic acid chloride; Cinnamic chloride; NSC 4683; β-Phenylacryloyl chloride |
Related CAS: | 17082-09-6 (E-isomer) 59015-50-8 (Z-isomer) 919299-20-0 (Deleted CAS) |
IUPAC Name: | 3-phenylprop-2-enoyl chloride |
Molecular Weight: | 166.60 |
Molecular Formula: | C9H7ClO |
Canonical SMILES: | C1=CC=C(C=C1)C=CC(=O)Cl |
InChI: | InChI=1S/C9H7ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H |
InChI Key: | WOGITNXCNOTRLK-UHFFFAOYSA-N |
Boiling Point: | 257°C |
Melting Point: | 33-37°C |
Purity: | ≥95% |
Density: | 1.199±0.06 g/cm3 |
Appearance: | White to yellowish crystalline solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00000732 |
LogP: | 2.46520 |
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 |
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PMID | Publication Date | Title | Journal |
22876958 | 20121101 | Synthesis and biological evaluation of chalcone derivatives (mini review) | Mini reviews in medicinal chemistry |
22695925 | 20120901 | A new rhodamine-based 'off-on' fluorescent chemosensor for Hg (II) ion and its application in imaging Hg (II) in living cells | Journal of fluorescence |
22542106 | 20120701 | Synthesis and antitumor activity of lapathoside D and its analogs | European journal of medicinal chemistry |
22173695 | 20120201 | Three-component reactions of isocyanides, dialkyl acetylenedicarboxylates, and trans-cinnamoyl chlorides for the synthesis of highly functionalized 2-vinyl furans | Molecular diversity |
20809657 | 20101001 | Stereocontrolled photodimerization with congested 1,8-bis(4'-anilino)naphthalene templates | The Journal of organic chemistry |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 166.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0185425 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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