1-(2,4-二氯苯基氨基甲酰基)环丙甲酸

Description

1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid · CAS 113136-77-9 · C11H9Cl2NO3. UNII E5WZ0SSS5V. Melting Point: 195.5 °C; Density: 1.4691 - 1.482 g/ml @ 20 °C; Vapor Pressure: 0.00000001 [mmHg].

Identification

CAS Registry Number	113136-77-9
PubChem CID	11097730
Molecular formula	C11H9Cl2NO3
IUPAC name	1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
UNII (FDA)	E5WZ0SSS5V

Computed Descriptors

Molecular Weight	274.10
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	272.9959485
Monoisotopic Mass	272.9959485
Topological Polar Surface Area	66.4
Heavy Atom Count	17
Formal Charge	0

Physical & Chemical Properties

Melting Point	195.5 °C
Density	1.4691 - 1.482 g/ml @ 20 °C
Vapor Pressure	0.00000001 [mmHg]
pH	pH = 3.8 (1% w/v water, 21 °C)
Dissociation Constants	pKa = 3.5

Physical description & handling notes

• White solid with no characteristic odor; [Reference #1]
• Powdery solid
• Low solubility in water, soluble in organic solvents.
• Solubility (g/100 ml): acetone 5.29; acetonitrile 0.50; dichloromethane 0.17; ethylacetate 3.18; hexane <0.0001; methanol 5.91; 1-octanol 6.72; 2-propanol 6.82.
• log Kow = 3.25, unstated pH
• Henry's Law constant = 7.31X10-10 atm-cu cm/mol @ 25 °C

GHS Hazard Classification

Reported hazard statements	H302, H411

Documented Uses

• A plant growth regulator applied at the end of the cotton season to promote boll opening, defoliation, and inhibition of terminal foliar regrowth; Formulated with ethephon and sold as FINISH Harvest Aid for Cotton; [Reference #1]
• Plant growth regulator and used as a cotton harvest aid.
• Fungicide; non-food use in cotton
• In the rat metab study radioactive cyclanilide was rapidly absorbed after oral admin. The principal route of elimination was by renal excretion of the parent compound & amino acid conjugates. Methylation was a minor metabolic pathway.

Synonyms

Cyclanilide; 113136-77-9; 1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylic acid; Finish; Cyclanilide [ISO]; 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic Acid; RPA 90946; DTXSID5032600; UNII-E5WZ0SSS5V; E5WZ0SSS5V; HSDB 7018; CYCLANILIDE [HSDB]; 1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid; EINECS Annex I Index 616-110-00-2; DTXCID3012600; 1-((2,4-dichlorophenyl)carbamoyl)cyclopropane-1-carboxylic acid

Frequently Asked Questions

What are the CAS number and molecular formula of 1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid?

CAS 113136-77-9; molecular formula C11H9Cl2NO3; molecular weight — g/mol.

What other names is 1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid known by?

Cyclanilide, 113136-77-9, 1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylic acid, Finish, Cyclanilide [ISO], 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic Acid.

Is 1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid classified as hazardous?

Hazard statements reported: H302, H411.

What are the key physical properties of 1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid?

Melting Point: 195.5 °C; Density: 1.4691 - 1.482 g/ml @ 20 °C; Vapor Pressure: 0.00000001 [mmHg]; pH: pH = 3.8 (1% w/v water, 21 °C).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.