2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide

• ChemBase ID: 157061
• Molecular Formular: C17H26ClNO2
• Molecular Mass: 311.84684
• Monoisotopic Mass: 311.16520676
• SMILES: CCCOCCN(c1c(cccc1CC)CC)C(=O)CCl
• Canonical SMILES: CCCOCCN(c1c(CC)cccc1CC)C(=O)CCl
• InChI: InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
• InChIKey: YLPGTOIOYRQOHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
• IUPAC Traditional name: solnet
• Synonyms: 2-Chloro-2′,6′-diethyl-N-(2-propoxyethyl)acetanilide; Pretilachlor; 2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide; CG 113; N-Propoxyethyl-N-chloroacetyl-2,6-diethylaniline; Rifit; Rifit 500; Solnet; Pretilachlor; 2-氯-2′,6′-二乙基-N-(2-丙氧基乙基)乙酰苯胺; 丙草胺

Database IDs

• CAS Number: 51218-49-6
• MDL Number: MFCD00161476
• Beilstein Number: 2754162
• PubChem SID: 162251198; 24862838
• PubChem CID: 91644

CALCULATED PROPERTIES

• Acid pKa: 16.770504
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.360701
• LogD (pH = 7.4): 4.360701
• Log P: 4.360701
• Molar Refractivity: 88.3906 cm^3
• Polarizability: 34.136555 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: Refrigerator
• RTECS: AB5427000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 38-50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H319-H331-H410
• GHS Precautionary statements: P261-P273-P305 + P351 + P338-P311-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C17H26ClNO2

DETAILS

Sigma Aldrich - 31251

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - P713200

Pretilachlor is a chloroacetanalide herbicide. Pretilachlor is commonly used for weed control in wet seeded rice

REFERENCES

• Mohankumar, P.D. et al.: J. Trop. Agric., 34, 149 (34, 149 (1996)
• Ravisankar, N. et al.: Ind. J. Agron., 53, 57 (1996)
• Singh, S. et al.: Crop Prot., 27, 660 (1996)