Cyclohexanecarbonyl chloride - CAS 2719-27-9
Catalog: |
BB019495 |
Product Name: |
Cyclohexanecarbonyl chloride |
CAS: |
2719-27-9 |
Synonyms: |
cyclohexanecarbonyl chloride |
IUPAC Name: | cyclohexanecarbonyl chloride |
Description: | Cyclohexanecarbonyl chloride (CAS# 2719-27-9) is used to prepare 1,2,3-triazoles as inhibitors of human immunodeficiency virus type 1 protease. It was also used to synthesize benzothiazole as potent antitumor agents. |
Molecular Weight: | 146.61 |
Molecular Formula: | C7H11ClO |
Canonical SMILES: | C1CCC(CC1)C(=O)Cl |
InChI: | InChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2 |
InChI Key: | RVOJTCZRIKWHDX-UHFFFAOYSA-N |
Boiling Point: | 184 °C |
Melting Point: | 29 °C |
Purity: | 98 % |
Density: | 1.096 g/cm3 |
Appearance: | Clear to yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Store pro |
MDL: | MFCD00001456 |
LogP: | 2.33210 |
GHS Hazard Statement: | H302 (17.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21913331 | 20111209 | Identification of inhibitors of the Leishmania cdc2-related protein kinase CRK3 | ChemMedChem |
21588965 | 20101009 | N-Phenyl-cyclo-hexa-necarboxamide | Acta crystallographica. Section E, Structure reports online |
20948914 | 20100824 | New one-pot methodologies for the modification or synthesis of alkaloid scaffolds | Marine drugs |
21583599 | 20090718 | N'-(Cyclo-hexyl-carbon-yl)isonicotino-hydrazide | Acta crystallographica. Section E, Structure reports online |
16894783 | 20060701 | Chiral discrimination of primary amines by HPLC after labeling with a chiral derivatization reagent, trans-2-(2,3-anthracenedicarboximido)-cyclohexanecarbonyl chloride | Journal of separation science |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.0498427 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.0498427 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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