Home > Compound List > Compound details
76578-14-8 molecular structure
click picture or here to close

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 and InChIs

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

Cite this record

CBID:158406 http://www.chembase.cn/molecule-158406.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
76578-14-8
MDL Number
MFCD00128062
Beilstein Number
7145610
PubChem SID
24899115
162252542
24861100
PubChem CID
53518

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53518 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.3896446  LogD (pH = 7.4) 4.389646 
Log P 4.389646  Molar Refractivity 95.3689 cm3
Polarizability 38.90455 Å3 Polar Surface Area 70.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
100 °C expand Show data source
212 °F expand Show data source
RTECS
UA2458255 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
21/22 expand Show data source
Safety Statements
22-24/25 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 + H312-H400 expand Show data source
GHS Precautionary statements
P273-P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Packaging
ampule of 100 mg expand Show data source
Empirical Formula (Hill Notation)
C19H17ClN2O4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 34306 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle