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| CAS No.: | 95617-09-7 |
|---|---|
| Name: | FENOXAPROP |
| Molecular Structure: | |
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|
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| Formula: | C16H12ClNO5 |
| Molecular Weight: | 333.72 |
| Synonyms: | 2-[4-[(6-Chloro-2-benzoxazolyl)oxy]phenoxy]propanoicacid;Fenoxaprop;Fenoxaprop acid;HOE 53022; |
| Density: | 1.425 g/cm3 |
| Boiling Point: | 506.8 °C at 760 mmHg |
| Flash Point: | 260.3 °C |
| Hazard Symbols: |
 N
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| Risk Codes: | 50/53 |
| Safety: | 60-61 |
| Transport Information: | UN 3077 9 |
| PSA: | 81.79000 |
| LogP: | 4.12540 |
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Specification
The Propanoic acid,2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, with the CAS registry number 95617-09-7, is also known as (+-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoicacid. It belongs to the product categories of Alpha Sort; E-GAlphabetic; F; FA - FLPesticides & Metabolites; Herbicides; Pesticides & Metabolites; Phenoxy Structure. This chemical's molecular formula is C16H12ClNO5 and molecular weight is 333.72. What's more, its IUPAC name and systematic name are the same which is called 2-[4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid. This chemical's classification code is Agricultural Chemical Herbicide. It can be stored at 0-6°C.
Physical properties about Propanoic acid,2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy] are: (1)ACD/LogP: 4.18; (2) # of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 4.08; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.65; (8)ACD/KOC (pH 7.4): 1.04; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 70.79 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 83.29 cm3; (15)Molar Volume: 234.1 cm3; (16)Polarizability: 33.01×10-24 cm3; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.425 g/cm3; (19)Flash Point: 260.3 °C; (20)Enthalpy of Vaporization: 81.8 kJ/mol; (21)Boiling Point: 506.8 °C at 760 mmHg; (22)Vapour Pressure: 4.28E-11 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical may present an immediate or delayed danger to one or more components of the environment. As a chemical, it is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste, so you should avoide releasing to the environment. You should refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(Oc3ccc(Oc1nc2ccc(Cl)cc2o1)cc3)C
(2)InChI: InChI=1/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)
(3)InChIKey: InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)