Basic information
- CAS
6386-63-6- Standard SMILES
O=C(O)COc1ccc(Cl)cc1CO- InChIKey
ZJRUTGDCLVIVRD-UHFFFAOYSA-N- Molecular formula
- C9H9ClO4
- Average molar mass
- 216.62 g/mol
- Monoisotopic mass
- 216.0189365
Names & identifiers
- Preferred name
- Cloxyfonac
- IUPAC
- 2-[4-chloro-2-(hydroxymethyl)phenoxy]acetic acid
- English name
- [4-chloro-2-(hydroxymethyl)phenoxy]acetic acid
- Molecular formula
- C9H9ClO4
- Molecular weight
- 216.62
Names & synonyms
CloxyfonacCloxyfonac [ISO][4-chloro-2-(hydroxymethyl)phenoxy]acetic acidTRYLONERP 7194UNII-R7GUT47A0MEINECS 228-987-5(4-Chloro-2-hydroxymethylphenoxy)acetic acidR7GUT47A0MBRN 2562257(4-Chloro-2-(hydroxymethyl)phenoxy)acetic acidACETIC ACID, (4-CHLORO-2-HYDROXYMETHYLPHENOXY)-
Show more names
Cloxyfoc4-Chloro-α-hydroxy-o-tolyloxyacetic acid2-hydroxymethyl-4-chlorophenyloxyacetic acid[2-(Hydroxymethyl)-4-chlorophenoxy]acetic acidAcetic acid, 2-[4-chloro-2-(hydroxymethyl)phenoxy]-
DTXSID00213294(2-(HYDROXYMETHYL)-4-CHLOROPHENOXY)ACETIC ACIDACETIC ACID, 2-(4-CHLORO-2-(HYDROXYMETHYL)PHENOXY)-RefChem:127138DTXCID001357856386-63-6Clocxyfonac2-(4-Chloro-2-(hydroxymethyl)phenoxy)acetic acid
Database identifiers
- CAS
6386-63-6- PubChem CID
- 22883
- DTXSID
DTXSID00213294- ChEMBL
CHEMBL1479569- UNII
- R7GUT47A0M
- EC Number
- 228-987-5
- Nikkaji
- J3.088K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 141 °C · 141 °C
- Boiling point
- 391.4 · 391.4±32.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 125 mg/mL · DMSO: 125 mg/mL (577.05 mM)
- form
- Solid
- pka
- 3.07 · 3.07±0.10(Predicted)
- color
- White to off-white
- BRN
- 2562257 · 2562257
- Henry's Law Constant
- 1 · 1.0×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C9H9ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3,11H,4-5H2,(H,12,13)
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
Warning
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 40-50
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS09
- hazard_code
- Xn,N
- safety_code
- 36/37-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H351-H400
- Hazard Classifications
- Aquatic Acute 1Carc. 2
- Precautionary statements
- P273-P281
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
DescriptionCloxyfonac is a herbicide usually formulated using the sodium salt. The acid is highly soluble in water and moderately volatile so there is some risk of drift. No information is available regarding its environmental persistence. It is moderately toxic to fish and aquatic invertebrates. Cloxyfonac has a low mammalian oral toxicity but may be a neurotoxicant. It is also a skin, eye and respiratory irritant.
UsesRefer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Suppliers40 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
福建盛世嘉泰药业有限公司13385921167 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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