[2,5-dioxo-3-(prop-2-yn-1-yl)imidazolidin-1-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

• ChemBase ID: 127806
• Molecular Formular: C17H22N2O4
• Molecular Mass: 318.36758
• Monoisotopic Mass: 318.15795719
• SMILES: O=C(OCN1C(=O)CN(C1=O)CC#C)C1C(C=C(C)C)C1(C)C
• Canonical SMILES: C#CCN1CC(=O)N(C1=O)COC(=O)C1C(C1(C)C)C=C(C)C
• InChI: InChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3
• InChIKey: VPRAQYXPZIFIOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,5-dioxo-3-(prop-2-yn-1-yl)imidazolidin-1-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
• IUPAC Traditional name: pralle
• Synonyms: 2-Propargylsuccinimidylmethyl chrysanthemate; Imiprothrin; Pralle; Multicide; Imiprothrin; (1R,S)-顺,反式菊酸-[2,5-二氧-3-(2-丙炔基)]-1-咪唑烷基甲基酯; 炔咪菊酯

Database IDs

• CAS Number: 72963-72-5
• MDL Number: MFCD03703407
• PubChem SID: 162222124
• PubChem CID: 123622
• Chemspider ID: 110211
• Wikipedia Title: Imiprothrin

CALCULATED PROPERTIES

• Acid pKa: 14.768394
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5107975
• LogD (pH = 7.4): 1.5107975
• Log P: 1.5107975
• Molar Refractivity: 84.2451 cm^3
• Polarizability: 32.476967 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 110 °C; 230 °F
• Density: 0.979 g/mL

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-50; R22 R50
• Safety Statements: 61; S61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H410
• GHS Precautionary statements: P273-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
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Description: mixture of isomers
• Empirical Formula (Hill Notation): C17H22N2O4

DETAILS

Sigma Aldrich - 33442

Legal Information
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