Flupoxam

HCID 86353CAS 119126-15-7
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Basic information

Standard SMILES
NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)n1
InChIKey
AOQMRUTZEYVDIL-UHFFFAOYSA-N
Molecular formula
C19H14ClF5N4O2
Average molar mass
460.8 g/mol
Monoisotopic mass
460.07254447

Overview

Flupoxam is a benzyl ether.

Names & identifiers

Preferred name
Flupoxam
IUPAC
1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
English name
1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide
Molecular formula
C19H14ClF5N4O2
Molecular weight
460.79

Names & synonyms

FlupoxamFlupoxam [ISO:BSI]UNII-G7Q93JFI8DG7Q93JFI8DFLUPOXAM [ISO]1-(4-chloro-3-((2,2,3,3,3-pentafluoropropoxy)methyl)phenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamideDTXSID7057943EC 411-750-71-{4-chloro-3-[(2,2,3,3,3-pentafluoropropoxy)methyl]phenyl}-5-phenyl-1H-1,2,4-triazole-3-carboxamide1-(4-Chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide1-[4-CHLORO-3-((2,2,3,3,3-PENTAFLUOROPROPOXY)METHYL)PHENYL]-5-PHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1H-1,2,4-triazole-3-carboxamide
Show more names
Flupoxam StandardFlupoxam in methanolFlupoxam 100 μg/mL in Acetonitrile1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide1H-1,2,4-Triazole-3-carboxamide, 1-[4-chloro-3-[(2,2,3,3,3-pentafluoropropoxy)methyl]phenyl]-5-phenyl-
1H-1,2,4-Triazole-3-carboxamide, 1-(4-chloro-3-((2,2,3,3,3-pentafluoropropoxy)methyl)phenyl)-5-phenyl-RefChem:141023DTXCID5031711411-750-7119126-15-71-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamideKNW-739MON-18500

Database identifiers

CAS
119126-15-7
PubChem CID
86353
DTXSID
DTXSID7057943
ChEBI
CHEBI:81818
UNII
G7Q93JFI8D
EC Number
411-750-7
Nikkaji
J667.924B

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
83 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
31

Experimental & physicochemical properties

PFAS · 3 items

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

Pesticides · 2 items

Herbicides

Active substance -> EU Pesticides database: Not approved

LogP3.27
Melting Point144 - 148 °C
Physical DescriptionSolid

Physicochemical properties

Melting point
151 ℃ · approximate 151℃
Boiling point
555.7 · 555.7±60.0 °C(Predicted)
Density
1.49 · 1.49±0.1 g/cm3(Predicted)
pka
14.35 · 14.35±0.50(Predicted)
Henry's Law Constant
1.1 · 1.1×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
EWG's Food Scores
1 · 1

Safety & regulation

GHS classification

GHS Classification · 4 items

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 2 items

2002/2076

Status: No longer Valid Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2481

Hazard Classes and Categories · 2 items

Hazardous to the aquatic environment (chronic) - category 2

Aquatic Chronic 2

Safety data

risk_code
51/53
Symbol(GHS)
GHS09
hazard_code
N
safety_code
61
Hazard statements
H411
REACH Registrations
Inactive

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Applications

UsesFlupoxam is a pesticide residue in food and vegetables. It also functions as a herbicide for agricultural purposes.

Suppliers4 total

上海泰坦科技股份有限公司18616708014 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]

Additional notes

DefinitionChEBI: Flupoxam is a benzyl ether.

Related reactions

5 records
New reaction record

Linked notes

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