Basic information
- CAS
77501-90-7- Standard SMILES
CCOC(=O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]- InChIKey
IPPAUTOBDWNELX-UHFFFAOYSA-N- Molecular formula
- C18H13ClF3NO7
- Average molar mass
- 447.7 g/mol
- Monoisotopic mass
- 447.0332639
Overview
Fluoroglycofen-ethyl is the ethyl ester of fluoroglycofen. It is a herbicide used for the control of broad-leaf weeds and grasses. The herbicide acts by inhibiting the enzyme protoporphyrinogen oxidase, leading to the damage of cell membranes. It has a role as a herbicide and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an ethyl ester, an aromatic ether, a C-nitro compound, a benzoate ester, a member of monochlorobenzenes and a member of (trifluoromethyl)benzenes. It is functionally related to a fluoroglycofen.
Names & identifiers
- Preferred name
- Fluoroglycofen-ethyl
- IUPAC
- (2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
- English name
- Fluoroglycofen-ethyl
- Molecular formula
- C18H13ClF3NO7
- Molecular weight
- 447.75
Names & synonyms
Fluoroglycofen-ethyl77501-90-7Fluoroglycofen ethyl esterCompeteRH-0265Fluoroglycofen ethylSIMTARDTXSID00419830RCH0H6C4NBenzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-ethoxy-2-oxoethyl esterRH 0265DTXCID8021983
Show more names
fluoroglycofenbas9106hlglycolatesuperblazerCompete(TM)FluroglycofenFluoroglyofene
RefChem:140943616-467-4Super blazerFluoroglycofen-ethyl [ISO]BAS 9106 H(2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoateBenzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, ester with ethyl glycolateBenzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-,2-ethoxy-2-oxoethyl ester
Database identifiers
- CAS
77501-90-7- PubChem CID
- 53672
- DTXSID
DTXSID0041983- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 628
Experimental & physicochemical properties
LogP3.65
Collision Cross Section210.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0041983]
Physicochemical properties
- Melting point
- 65 °C · 65 °C
- Boiling point
- 487.7 · 487.7±45.0 °C(Predicted)
- Density
- 1.4996 · 1.4996 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow to Light Beige
- Water Solubility
- 604 ug/L · 604ug/L(temperature not stated)
- InChI
- InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3
- InChIKey
- IPPAUTOBDWNELX-UHFFFAOYSA-N
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- DG5643100
- hs_code
- 29189900
- risk_code
- 22-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 61
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionFluoroglycofen-ethyl is a nitrophenyl ether compound used as a post-emergence herbicide. It has a low aqueous solubility and a low volatility. Under most conditions it tends not to be environmentally persistent. It is moderately toxic to mammals via the oral route. Information on chronic health risks is missing. It is highly toxic to birds and algae but less so to other species.
UsesFluoroglycofen-ethyl can be used in biological study and agricultural use of pesticide for removing root of Alternanthera philoxeroides.
Suppliers54 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Alchemie Shanghai Co.,Ltd.+86-15921545397 · [email protected]
Qingdao Trust Agri Chemical Co.,Ltd+86-008615963231493 +86-008613573296305 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京欣恒研科技有限公司010-56034419 13426091577 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…