ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate

• ChemBase ID: 158406
• Molecular Formular: C19H17ClN2O4
• Molecular Mass: 372.80228
• Monoisotopic Mass: 372.08768471
• SMILES: CCOC(=O)C(C)Oc1ccc(cc1)Oc1cnc2cc(ccc2n1)Cl
• Canonical SMILES: CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C
• InChI: InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3
• InChIKey: OSUHJPCHFDQAIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
• IUPAC Traditional name: quizalofop-P-ethyl
• Synonyms: Ethyl 2-[4-(6-chloro-2-quinoxalinyloxy)phenoxy]propionate; Quizalofop-ethyl; 精禾草克; 2-[4-(6-氯-2-喹喔啉氧基)苯氧基]丙酸乙酯; 喹禾灵

Database IDs

• CAS Number: 76578-14-8
• MDL Number: MFCD00128062
• Beilstein Number: 7145610
• PubChem SID: 24861100; 162252542; 24899115
• PubChem CID: 53518

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.3896446
• LogD (pH = 7.4): 4.389646
• Log P: 4.389646
• Molar Refractivity: 95.3689 cm^3
• Polarizability: 38.90455 Å^3
• Polar Surface Area: 70.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 100 °C; 212 °F

Safety Information

• RTECS: UA2458255
• European Hazard Symbols: Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 21/22
• Safety Statements: 22-24/25
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312-H400
• GHS Precautionary statements: P273-P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 100 mg
• Empirical Formula (Hill Notation): C19H17ClN2O4

DETAILS

Sigma Aldrich - 34306

Legal Information
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