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| CAS No.: | 71283-80-2 |
|---|---|
| Name: | Fenoxaprop-p-ethyl |
| Article Data: | 5 |
| Molecular Structure: | |
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|
|
| Formula: | C18H16ClNO5 |
| Molecular Weight: | 361.782 |
| Synonyms: | Propanoicacid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)-;(R)-Ethyl fenoxaprop;Acclaim Extra;Aclaim;Cheetah;Ethyl(2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate;Exel Super;Fenoxaprop P-ethyl;Propanoicacid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-;Furore Super;HOE 046360;Isomero;Option Super;Proper Energy;Puma LS;Puma Super;Puma Universal;Ralon super;Ricestar;Super Whip;Whip 360;Whip S;Whip Super;XL 71AG; |
| Density: | 1.31 g/cm3 |
| Melting Point: | 79-84°C (lit.) |
| Boiling Point: | 477.5 °C at 760 mmHg |
| Flash Point: | 242.6 °C |
| Solubility: | 705.4ug/L(temperature not stated) |
| Hazard Symbols: |
 N
|
| Risk Codes: | 50/53 |
| Safety: | 60-61 |
| Transport Information: | UN3077 9/PG 3 |
| PSA: | 70.79000 |
| LogP: | 4.60390 |
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Chemistry
Molecule structure of Fenoxaprop-P-ethyl (CAS NO.71283-80-2):
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IUPAC Name: Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
Molecular Weight: 361.77634 g/mol
Molecular Formula: C18H16ClNO5
Density: 1.31 g/cm3
Boiling Point: 477.5 °C at 760 mmHg
Flash Point: 242.6 °C
Index of Refraction: 1.587
Molar Refractivity: 92.76 cm3
Molar Volume: 275.9 cm3
Surface Tension: 47.3 dyne/cm
Enthalpy of Vaporization: 74.14 kJ/mol
Vapour Pressure: 2.79E-09 mmHg at 25 °C
Storage Temp.: 0-6 °C
XLogP3: 4.1
H-Bond Acceptor: 6
Rotatable Bond Count: 7
Exact Mass: 361.0717
MonoIsotopic Mass: 361.0717
Topological Polar Surface Area: 70.8
Heavy Atom Count: 25
Canonical SMILES: CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
Isomeric SMILES: CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
InChI: InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKey: PQKBPHSEKWERTG-LLVKDONJSA-N
Product Categories: HERBICIDE; Alpha sort; E-GAlphabetic; F; FA - FLEnvironmental Standards; Herbicides; MetabolitesPesticides&Metabolites; Pesticides&Metabolites; Phenoxy structure
Safety Profile
Hazard Codes: 
N
Risk Statements: 50/53
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61
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.
RIDADR: UN3077 9/PG 3
Specification
Fenoxaprop-P-ethyl (CAS NO.71283-80-2) is also named as Ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate ; Ethyl (R)-2-[4-(6-chlorobenzoxazol-2-yloxy)phenoxy]propionate ; Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, ethyl ester, (2R)- ; propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)- .