2-Chloro-N-phenylacetamide - CAS 587-65-5
Catalog: |
BB030157 |
Product Name: |
2-Chloro-N-phenylacetamide |
CAS: |
587-65-5 |
Synonyms: |
2-chloro-N-phenylacetamide |
IUPAC Name: | 2-chloro-N-phenylacetamide |
Description: | 2-Chloro-N-phenylacetamide (CAS# 587-65-5) is used as a reagent in the synthesis of indolylmethylene benzo[h]thiazolo[2,3-b]quinazolinones which exhibit anticancer and antimicrobial activities in vitro. |
Molecular Weight: | 169.61 |
Molecular Formula: | C8H8ClNO |
Canonical SMILES: | C1=CC=C(C=C1)NC(=O)CCl |
InChI: | InChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11) |
InChI Key: | VONWPEXRCLHKRJ-UHFFFAOYSA-N |
Boiling Point: | 340 °C at 760 mmHg |
Melting Point: | 86-88 °C |
Density: | 1.266 g/cm3 |
Solubility: | Practically insoluble |
Appearance: | Very light beige, Crystalline powder |
MDL: | MFCD00018887 |
LogP: | 1.93690 |
Vapor Pressure: | 0.0000433 [mmHg] |
GHS Hazard Statement: | H315 (97.44%): 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-112875727-A | Method for recovering sodium carbonate and sodium chloride from chloroacetanilide mother liquor | 20210222 |
CN-112358413-A | Preparation method of N-chloroacetanilide | 20201109 |
WO-2021211218-A1 | Agricultural formulations | 20200417 |
WO-2021186406-A1 | An agrochemical composition | 20200320 |
WO-2021171147-A1 | An agrochemical composition | 20200229 |
PMID | Publication Date | Title | Journal |
30561685 | 20190401 | Screening the ToxCast Phase 1, Phase 2, and e1k Chemical Libraries for Inhibitors of Iodothyronine Deiodinases | Toxicological sciences : an official journal of the Society of Toxicology |
25291404 | 20150201 | Extracellular signal-regulated kinase pathway play distinct role in acetochlor-mediated toxicity and intrinsic apoptosis in A549 cells | Toxicology in vitro : an international journal published in association with BIBRA |
24928877 | 20140801 | Novel three-component Rieske non-heme iron oxygenase system catalyzing the N-dealkylation of chloroacetanilide herbicides in sphingomonads DC-6 and DC-2 | Applied and environmental microbiology |
24378469 | 20140201 | Comparative responses of sperm cells and embryos of Pacific oyster (Crassostrea gigas) to exposure to metolachlor and its degradation products | Aquatic toxicology (Amsterdam, Netherlands) |
22884430 | 20121208 | Butachlor induced dissipation of mitochondrial membrane potential, oxidative DNA damage and necrosis in human peripheral blood mononuclear cells | Toxicology |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0294416 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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