4-Pentenoyl chloride - CAS 39716-58-0
Catalog: |
BB024098 |
Product Name: |
4-Pentenoyl chloride |
CAS: |
39716-58-0 |
Synonyms: |
pent-4-enoyl chloride |
IUPAC Name: | pent-4-enoyl chloride |
Description: | 4-Pentenoyl chloride (CAS# 39716-58-0) is a versatile chemical used in various chemical synthesis such as in the preparation of D-pro-L-derived cyclic peptides, N-4-pentenoyl-L-cysteine methyl ester[, and 4-pentenoylcobalt tricarbonyl. |
Molecular Weight: | 118.56 |
Molecular Formula: | C5H7ClO |
Canonical SMILES: | C=CCCC(=O)Cl |
InChI: | InChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h2H,1,3-4H2 |
InChI Key: | JDKQTIKEGOOXTJ-UHFFFAOYSA-N |
Boiling Point: | 125 °C |
Density: | 1.074 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00799572 |
LogP: | 1.71800 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
20439146 | 20101102 | Development and validation of a specific and sensitive GC-FID method for the determination of impurities in 5-chlorovaleroyl chloride | Journal of pharmaceutical and biomedical analysis |
Complexity: | 78.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.0185425 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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