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

• ChemBase ID: 156960
• Molecular Formular: C19H17ClN2O4
• Molecular Mass: 372.80228
• Monoisotopic Mass: 372.08768471
• SMILES: CCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc1cnc2cc(ccc2n1)Cl
• Canonical SMILES: CCOC(=O)[C@H](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/t12-/m1/s1
• InChIKey: OSUHJPCHFDQAIT-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
• IUPAC Traditional name: ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
• Synonyms: DPX-Y6202; Ethyl (R)-2-[4-(6-chloro-2-quinoxalyloxy)phenoxy]propionate; Quinofop-ethyl; Quizalofop-p-ethyl; (2R)-2-[4-[(6-Chloro-2-quinoxalinyl)oxy]phenoxy]propanoic Acid Ethyl Ester; Assure II; Ethyl (2R)-2-[4-[(6-Chloroquinoxalin-2-yl)oxy]phenoxy]propionate; Ethyl (R)-2-[4-(6-Chloroquinoxalin-2-yloxy)phenoxy]propionate; Quizalofop-P-ethyl; Targa D+; Targa Super; Xylofop-ethyl; (R)-Quizalofop Ethyl; (R)-2-[4-(6-氯-2-喹喔啉氧基)苯氧基]丙酸乙酯; 禾草克; 精喹禾灵

Database IDs

• CAS Number: 100646-51-3
• MDL Number: MFCD09028086
• PubChem SID: 162251097; 24860853
• PubChem CID: 1617113

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: UA2458257
• 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: 36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H413
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C19H17ClN2O4

DETAILS

Sigma Aldrich - 34074

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

Toronto Research Chemicals - Q826080

Post-emergence herbicide for control of grassy weeds in broad-leaved crops. Herbicide.

REFERENCES

• Corbett, T., et al.: Cancer Res., 42, 1707 (1982)
• Branda, R., et al.: Biochem. Pharmacol., 38, 3521 (1982)
• Corbett, T., et al.: J. Exper. Therap. Oncol., 1, 95 (1982)