DL-3-(Alpha-Acetonyl-4'-chlorobenzyl)-4-hydroxycoumarin (CAS 81-82-3) — formula C19H15ClO4, molecular weight 342.8; category organic chemicals.
| CAS Number | 81-82-3 |
|---|---|
| Molecular Formula | C19H15ClO4 |
| Molecular Weight | 342.8 |
| Melting Point | 169-171 °C |
| LogP | 3.3 |
| Applications | Uses: Used as anticoagulant rodenticide (structural analog of warfarin), [Merck Index], No longer registered as a pesticide for use in the US, [HSDB], Farming (Pesticides) [Category: Industry], Rodenticide., For coumachlor (USEPA, OPP Pesticide Code: 224200) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Methods of Manufacturing: Preparation: F. Litvan, W. Stoll, US 2648682 (1953 to J. R. Geigy)., Coumachlor is made by the condensation of 3-carbethoxy-4-hydroxycoumarin and p-chlorobenzalacetone., Formulations, Preparations: Trade Names: Tomorin, Ratilan, G 23133. |
| Category | Organic Chemicals |
Documented applications: Uses: Used as anticoagulant rodenticide (structural analog of warfarin), [Merck Index], No longer registered as a pesticide for use in the US, [HSDB], Farming (Pesticides) [Category: Industry], Rodenticide., For coumachlor (USEPA, OPP Pesticide Code: 224200) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Methods of Manufacturing: Preparation: F. Litvan, W. Stoll, US 2648682 (1953 to J. R. Geigy)., Coumachlor is made by the condensation of 3-carbethoxy-4-hydroxycoumarin and p-chlorobenzalacetone., Formulations, Preparations: Trade Names: Tomorin, Ratilan, G 23133..
DL-3-(Alpha-Acetonyl-4'-chlorobenzyl)-4-hydroxycoumarin is a carbon-based organic compound with CAS registry number 81-82-3 and molecular formula C19H15ClO4 (molecular weight 342.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81-82-3
Its molecular formula C19H15ClO4 comprises 19 C, 15 H, 1 Cl, 4 O atoms.
Also known as: DL-3-(Alpha-Acetonyl-4'-chlorobenzyl)-4-hydroxycoumarin · DL-3-(α-丙酮基-4'-氯苄基)-4-羟基香豆素
Category: organic chemicals
The CAS registry number of DL-3-(Alpha-Acetonyl-4'-chlorobenzyl)-4-hydroxycoumarin is 81-82-3.
Molecular formula C19H15ClO4, molecular weight 342.8.
It is also registered under: DL-3-(Alpha-Acetonyl-4'-chlorobenzyl)-4-hydroxycoumarin, DL-3-(α-丙酮基-4'-氯苄基)-4-羟基香豆素.
Recorded applications: Uses: Used as anticoagulant rodenticide (structural analog of warfarin), [Merck Index], No longer registered as a pesticide for use in the US, [HSDB], Farming (Pesticides) [Category: Industry], Rodenticide., For coumachlor (USEPA, OPP Pesticide Code: 224200) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Methods of Manufacturing: Preparation: F. Litvan, W. Stoll, US 2648682 (1953 to J. R. Geigy)., Coumachlor is made by the condensation of 3-carbethoxy-4-hydroxycoumarin and p-chlorobenzalacetone., Formulations, Preparations: Trade Names: Tomorin, Ratilan, G 23133..
Category: Organic Chemicals.
Independent reference data for DL-3-(Alpha-Acetonyl-4'-chlorobenzyl)-4-hydroxycoumarin (CAS 81-82-3), compiled from public chemistry databases.
| CAS Registry Number | 81-82-3 |
|---|---|
| PubChem CID | 54682651 |
| Molecular formula | C19H15ClO4 |
| IUPAC name | 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxychromen-2-one |
| UNII (FDA) | UCD8XZW42P |
| Molecular Weight | 342.8 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 342.0658866 |
| Monoisotopic Mass | 342.0658866 |
| Topological Polar Surface Area | 63.6 |
| Heavy Atom Count | 24 |
| Melting Point | 169-171 °C |
|---|---|
| Solubility | In water, 5 mg/l @ 20 °C. |
COUMACHLOR; 81-82-3; Tomorin; Ratilan; Cumachlor; Coumachlore; Cumachloor; Kumachlor; Experimental rodenticide 332; Geigy rodenticide exp. 332; Caswell No. 004A; DTXSID8041797; G-23133; UCD8XZW42P; 3-(1-Acetyl-2-(p-chlorophenyl)ethyl)-4-hydroxycoumarin; EPA Pesticide Chemical Code 224200
| Reported hazard statements | H373, H412 |
|---|
H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
DL-3-(Alpha-Acetonyl-4'-chlorobenzyl)-4-hydroxycoumarin · CAS 81-82-3 · C19H15ClO4. UNII UCD8XZW42P. Melting Point: 169-171 °C; Solubility: In water, 5 mg/l @ 20 °C..
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.