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Basic information
- CAS
69806-34-4- Standard SMILES
CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O- InChIKey
GOCUAJYOYBLQRH-UHFFFAOYSA-N- Molecular formula
- C15H11ClF3NO4
- Average molar mass
- 361.7 g/mol
- Monoisotopic mass
- 361.03287017
Overview
2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid is a monocarboxylic acid that is 2-phenoxypropanoic acid in which the hydrogen at the para position of the phenyl ring has been replaced by a [3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy group. It is a monocarboxylic acid, a member of pyridines, an aromatic ether, an organochlorine compound and an organofluorine compound.
Names & identifiers
- Preferred name
- Haloxyfop
- IUPAC
- 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid
- English name
- 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid
- Molecular formula
- C15H11ClF3NO4
- Molecular weight
- 361.7
Names & synonyms
HALOXYFOP69806-34-4Haloxyfop AcidDTXSID70420192-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propanoic acid24TYO6H90HDTXCID5022019(RS)-2-(4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy)propionic acid2-(4-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoic acidPropanoic acid, 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid
Show more names
DOWCO453AI3-27257Halossifop(±)-HaloxyfopHaloxyfop (freUNII-7O9EWV477RHALOXYFOP PESTANAL,2-[4-[3-chloro-5-(tr
2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)propanoic acidRefChem:783375CHEBI:3652-(4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoic acid(+/-)-Haloxyfop2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acidHaloxyfop [ANSI:BSI:ISO]Haloxyfop (free acid)
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 429
Experimental & physicochemical properties
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Herbicides, Transformation products
Pesticide (Haloxyfop) -> USDA PDB
Collision Cross Section
190.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7042019]
179.86 Ų [M+H]+ [CCS Type: TW]
Physicochemical properties
- Melting point
- 107.5 °C · 107.5 °C
- Boiling point
- 420.3 · 420.3±45.0 °C(Predicted)
- Density
- 1.442 · 1.442±0.06 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- solubility
- 100 mg/mL · DMSO : 100 mg/mL (276.47 mM; Need ultrasonic)
- form
- Solid
- pka
- 3.12 · 3.12±0.10(Predicted)
- color
- White to off-white
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 100 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
2002/2076
Haloxyfop: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- UA2458284
- hs_code
- 29333990
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318-H412
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1
- Precautionary statements
- P273-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
Use ClassificationHerbicides, Transformation products
Applications
Uses(±)-Haloxyfop is a herbicide.
Upstream & downstream products
Upstream raw materials
Suppliers60 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
阜新四维卤化物有限公司0418-2260776 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Related reactions
7 records
Compound notes
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