2-Phenylbutyryl chloride - CAS 36854-57-6
Catalog: |
BB023113 |
Product Name: |
2-Phenylbutyryl chloride |
CAS: |
36854-57-6 |
Synonyms: |
2-phenylbutanoyl chloride |
IUPAC Name: | 2-phenylbutanoyl chloride |
Description: | 2-Phenylbutyryl chloride (CAS# 36854-57-6) is used in the synthesis of mild and neutral system for selective reduction of organic functional groups. Also used in the preparation of phenothiazine derivatives for the reversible inhibition of human butyrylcholinesterase. |
Molecular Weight: | 182.65 |
Molecular Formula: | C10H11ClO |
Canonical SMILES: | CCC(C1=CC=CC=C1)C(=O)Cl |
InChI: | InChI=1S/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
InChI Key: | QGXMHCMPIAYMGT-UHFFFAOYSA-N |
Boiling Point: | 143-145 ℃ (15 mmHg) |
Density: | 1.093 g/cm3 |
Appearance: | Clear pale yellow to yellow liquid |
MDL: | MFCD00018811 |
LogP: | 2.94560 |
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 |
CN-109734619-A | A method of impurity A, C are isolated and purified from phenobarbital production waste residue | 20190118 |
CN-109851519-A | A method of 2- phenylbutanamides are isolated and purified from phenobarbital production waste residue | 20190118 |
CN-109629026-A | A kind of cellulose melt spun fibre and preparation method thereof with durable antibiotic performance | 20181210 |
WO-2019099564-A1 | Novel imidazopyrimidine compounds and uses thereof | 20171114 |
WO-2019099578-A1 | Use of imidazopyrimidine for modulating human immune response | 20171114 |
Complexity: | 150 |
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: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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