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| CAS No.: | 99607-70-2 |
|---|---|
| Name: | Cloquintocet-mexyl |
| Molecular Structure: | |
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|
|
| Formula: | C18H22ClNO3 |
| Molecular Weight: | 335.831 |
| Synonyms: | heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate;Acetic acid,[(5-chloro-8-quinolinyl)oxy]-,1- methylhexyl ester;CGA 185072;Cloquintocet Mexyl;sell clodinafop-propargyl 97%;sell clodinafop-propargyl 97% ,15%WP,80g/L EC, 200g/L EC;Cloquintocet-mexyl 96%; |
| Density: | 1.163 g/cm3 |
| Melting Point: | 69° |
| Boiling Point: | 448.4 °C at 760 mmHg |
| Flash Point: | 225 °C |
| Appearance: | beige solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 43 |
| Safety: | 36/37 |
| Transport Information: | UN 3077 |
| PSA: | 48.42000 |
| LogP: | 4.77900 |
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Chemistry
Molecule structure of Cloquintocet-mexyl (CAS NO.99607-70-2):
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IUPAC Name: [(2S)-Heptan-2-yl] 2-(5-chloroquinolin-8-yl)oxyacetate
Molecular Weight: 335.82518 g/mol
Molecular Formula: C18H22ClNO3
Density: 1.163 g/cm3
Boiling Point: 448.4 °C at 760 mmHg
Flash Point: 225 °C
Index of Refraction: 1.554
Molar Refractivity: 92.55 cm3
Molar Volume: 288.6 cm3
Surface Tension: 42.7 dyne/cm
Enthalpy of Vaporization: 70.69 kJ/mol
Vapour Pressure: 3.1E-08 mmHg at 25 °C
Storage Temp.: 0-6 °C
Stability: stable. incompatible with strong oxidizing agents.
XLogP3-AA: 5.5
H-Bond Acceptor: 4
Rotatable Bond Count: 9
Exact Mass: 335.128821
MonoIsotopic Mass: 335.128821
Topological Polar Surface Area: 48.4
Heavy Atom Count: 23
Canonical SMILES: CCCCCC(C)OC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2
Isomeric SMILES: CCCCC[C@H](C)OC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2
InChI: InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3/t13-/m0/s1
InChIKey: COYBRKAVBMYYSF-ZDUSSCGKSA-N
Product Categories of Cloquintocet-mexyl (CAS NO.99607-70-2): Alpha sort;C;CAlphabetic;CI - CL;Pesticides&Metabolites
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 43
R43:May cause sensitization by skin contact.
Safety Statements: 36/37
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 3077
RTECS: AG1265000
Specification
Cloquintocet-mexyl (CAS NO.99607-70-2) is also named as Acetic acid, ((5-chloro-8-quinolinyl)oxy)-, 1-methylhexyl ester ; Acetic acid, 2-((5-chloro-8-quinolinyl)oxy)-, 1-methylhexyl ester ; [(5-Chloro-8-quinolinyl)oxy]acetic acid 1-methylhexyl ester ; 1-Methylhexyl 2-[(5-chloro-8-quinolinyl)oxy]acetate ; 2-Heptanyl-[(5-chlor-8-chinolinyl)oxy]acetat ; Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate . Cloquintocet-mexyl (CAS NO.99607-70-2) is beige solid.