2-(4-Chlorophenyl)-3-methylbutyryl chloride - CAS 51631-50-6
Catalog: |
BB027523 |
Product Name: |
2-(4-Chlorophenyl)-3-methylbutyryl chloride |
CAS: |
51631-50-6 |
Synonyms: |
2-(4-chlorophenyl)-3-methylbutanoyl chloride |
IUPAC Name: | 2-(4-chlorophenyl)-3-methylbutanoyl chloride |
Description: | 2-(4-Chlorophenyl)-3-methylbutyryl chloride (CAS# 51631-50-6) is a useful research chemical. |
Molecular Weight: | 231.12 |
Molecular Formula: | C11H12Cl2O |
Canonical SMILES: | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)Cl |
InChI: | InChI=1S/C11H12Cl2O/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3 |
InChI Key: | BWPYAVCZZUTOBY-UHFFFAOYSA-N |
Boiling Point: | 124-130 °C (3 Torr) |
Density: | 1.195 g/cm3 |
MDL: | MFCD03093952 |
LogP: | 3.84500 |
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 |
CN-112341330-A | Acidification reaction process and device for preparing 2-4- (chlorphenyl) -3-methylbutyryl chloride | 20201029 |
CN-112174807-A | Purification and recovery process and device for preparing 2-4- (chlorphenyl) -3-methylbutyryl chloride | 20201028 |
WO-2020189621-A1 | Method for producing peptide compound | 20190315 |
WO-2016039404-A1 | Pyrazolinone derivative, manufacturing method therefor, and herbicide containing same as active ingredient | 20140912 |
CN-103554176-A | Thiophosphoryl compounds | 20131101 |
PMID | Publication Date | Title | Journal |
21581638 | 20081220 | 3-Mesityl-2-oxo-1-oxaspiro-[4.4]non-3-en-4-yl 2-(4-chloro-phen-yl)-3-methyl-butyrate | Acta crystallographica. Section E, Structure reports online |
21581639 | 20081220 | 2-(4-Chloro-phen-yl)-3-methyl-N-(5-methyl-thia-zol-2-yl)butanamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.0265204 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.0265204 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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