4-Chlorobutyrophenone - CAS 939-52-6
Catalog: |
BB041137 |
Product Name: |
4-Chlorobutyrophenone |
CAS: |
939-52-6 |
Synonyms: |
4-chloro-1-phenylbutan-1-one |
IUPAC Name: | 4-chloro-1-phenylbutan-1-one |
Description: | 4-Chlorobutyrophenone (CAS# 939-52-6) is a useful research chemical. |
Molecular Weight: | 182.65 |
Molecular Formula: | C10H11ClO |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)CCCCl |
InChI: | InChI=1S/C10H11ClO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
InChI Key: | GHEFQKHLHFXSBR-UHFFFAOYSA-N |
Boiling Point: | 130-133 °C / 4 mmHg |
Purity: | Techincal grade |
Density: | 1.1 g/cm3 |
MDL: | MFCD00013647 |
LogP: | 2.88830 |
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 |
US-2019300475-A1 | Compounds to inhibit calcium/calmodulin dependent protein kinase ii and applications thereof | 20180328 |
US-2019015400-A1 | Antifungal Compositions | 20170717 |
US-10525050-B2 | Alkylated tetrahydroisoquinolines for binding to central nervous system receptors | 20170106 |
US-2018193330-A1 | Alkylated tetrahydroisoquinolines for binding to central nervous system receptors | 20170106 |
CN-106380441-A | Synthetic method of fexofenadine intermediate | 20160829 |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0498427 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0498427 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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