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CAS No.: 119738-06-6
Name: Quizalofop-p-tefuryl
Molecular Structure:
Molecular Structure of 119738-06-6 (Quizalofop-p-tefuryl)
Formula: C22H21ClN2O5
Molecular Weight: 428.87
Synonyms: C 4874;Pantera;UBI 1956;UBI-C 4874;(+/-)-Tetrahydrofurfuryl-(R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenyloxy]propionate;Quizalofop-p-tefuryl;(tetrahydro-2-furanyl)methyl (2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoate;(RS)-tetrahydrofurfuryl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate;;[(2Ξ)-oxolan-2-yl]methyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate;;
EINECS: 414-200-4
Density: 1.317 g/cm3
Melting Point: 64 °C
Boiling Point: 579.599 °C at 760 mmHg
Flash Point: 304.331 °C
Appearance: thick yellow liquid with special ester odor
Hazard Symbols: ToxicT, DangerousN
Risk Codes: 61-22-48/22-62-68-50/53
Safety: 53-45-60-61
PSA: 79.77000
LogP: 4.56500
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Chemistry

Molecular Structure of Quizalofop-p-tefuryl (CAS No.119738-06-6):
 
Molecular Formula: C22H21ClN2O5
Molecular Weight: 428.8655
CAS No: 119738-06-6
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 79.77 Å2
Index of Refraction: 1.604
Molar Refractivity: 111.991 cm3
Molar Volume: 325.698 cm3
Surface Tension: 53.708 dyne/cm
Density: 1.317 g/cm3
Flash Point: 304.331 °C
Enthalpy of Vaporization: 86.717 kJ/mol
Boiling Point: 579.599 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
IUPAC Name: Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
InChI: InChI=1/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3/t14-,18?/m1/s1
InChIKey: BBKDWPHJZANJGB-IKJXHCRLBR
Std. InChI: InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3/t14-,18?/m1/s1
Std. InChIKey: BBKDWPHJZANJGB-IKJXHCRLSA-N

Safety Profile

Hazard Codes: ToxicT,DangerousN
Risk Statements: 61-22-48/22-62-68-50/53
R61:May cause harm to the unborn child. 
R22:Harmful if swallowed. 
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed. 
R62:Risk of impaired fertility. 
R68:Possible risk of irreversible effects. 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 53-45-60-61
S53:Avoid exposure - obtain special instructions before use. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S60:This material and its container must be disposed of as hazardous waste. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.

Specification

   Quizalofop-p-tefuryl (CAS No.119738-06-6), its synonyms are (+/-)-Tetrahydrofurfuryl-(R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenyloxy]propionate ; Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, (tetrahydro-2-furanyl)methyl ester, (2R)- ; Tetrahydro-2-furanylmethyl (2R)-2-{4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy}propanoate ; Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, (tetrahydro-2-furanyl)methyl ester ; Quizalofop-p-tefuryl solution  .

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 64 deg C   EXP
pKa Dissociation Constant 1.25 (none) 25 EXP
log P (octanol-water) 4.32 (none)   EXP
Water Solubility 4 mg/L 25 EXP
Vapor Pressure 5.93E-08 mm Hg 25 EXP
Henry's Law Constant 5.63E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.80E-11 cm3/molecule-sec 25 EST