4-Butylbenzoyl chloride - CAS 28788-62-7
Catalog: |
BB019946 |
Product Name: |
4-Butylbenzoyl chloride |
CAS: |
28788-62-7 |
Synonyms: |
4-butylbenzoyl chloride |
IUPAC Name: | 4-butylbenzoyl chloride |
Description: | 4-Butylbenzoyl chloride (CAS# 28788-62-7) is a useful research chemical. |
Molecular Weight: | 196.67 |
Molecular Formula: | C11H13ClO |
Canonical SMILES: | CCCCC1=CC=C(C=C1)C(=O)Cl |
InChI: | InChI=1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3 |
InChI Key: | OUOWCSJYDCPVDM-UHFFFAOYSA-N |
Boiling Point: | 155-156 °C22 mmHg (lit.) |
Purity: | > 96.0 % (GC) (T) |
Density: | 1.051 g/mL at 25 °C (lit.) |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00000699 |
LogP: | 3.40820 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021211123-A1 | Adjuvant-antibiotic combination against gram-negative bacteria | 20200416 |
CN-111393277-A | 4-butyl polyhydroxy benzophenone compound derivative and application thereof | 20200315 |
JP-2021100064-A | Thermoelectric conversion materials and thermoelectric conversion elements | 20191223 |
CN-110981877-A | Novel method for synthesizing indolo [1,2-a ] quinoxaline derivative | 20191211 |
JP-2020158432-A | Ester compounds and methods for producing them, plasticizers for thermoplastic resins, and thermoplastic resin compositions. | 20190326 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0654927 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0654927 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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