Florpyrauxifen-benzyl

HCID 70495450CAS 1390661-72-9

Substructure search Find similar structures

Basic information

Standard SMILES: COc1c(Cl)ccc(-c2nc(C(=O)OCc3ccccc3)c(Cl)c(N)c2F)c1F
InChIKey: WNZCDFOXYNRBRB-UHFFFAOYSA-N
Molecular formula: C20H14Cl2F2N2O3
Average molar mass: 439.2 g/mol
Monoisotopic mass: 438.034954

Names & identifiers

Preferred name: Florpyrauxifen-benzyl
IUPAC: benzyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate
English name: florpyrauxifen-benzyl
Molecular formula: C20H14Cl2F2N2O3
Molecular weight: 439.24

Names & synonyms

florpyrauxifen-benzyl1390661-72-9Rinskorbenzyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylateflorpyrauxifene-benzyleCHEBI:133651benzyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropicolinatephenylmethyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-2-pyridinecarboxylateRefChem:140765Florpyrauxifen benzylC20H14Cl2F2N2O32-Pyridinecarboxylic acid, 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-, phenylmethyl ester

Show more names

Degarelix Impurity 9Florpyrauxifen-benzyl in AcetonitrileFlorpyrauxifen-benzyl 100 μg/mL in AcetonitrileFlorpyrauxifen-benzy1, a type of silkworm ester, is a type of FluoroPyridine ester.florpyrauxifen-benzylQ: What is florpyrauxifen-benzyl Q: What is the CAS Number of florpyrauxifen-benzyl

Florpyrauxifen-benzyl ester38NVT24JZAflorpyrauxifen-benzyl [ISO]orb3173455SCHEMBL11022910SCHEMBL29381465SCHEMBL29390544DTXSID00894941

Database identifiers

CAS: 1390661-72-9
PubChem CID: 70495450
DTXSID: DTXSID00894941
ChEBI: CHEBI:133651
UNII: 38NVT24JZA
EC Number: 815-125-3
Nikkaji: J3.539.809K

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 74.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 556

Physicochemical properties

Boiling point: 570.4 · 570.4±50.0 °C(Predicted)
Density: 1.439 · 1.439±0.06 g/cm3(Predicted)
pka: -1.03 · -1.03±0.46(Predicted)
FDA UNII: 38 NVT24JZA · 38NVT24JZA
EPA Substance Registry System: Florpyrauxifen-benzyl (1390661-72-9)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 317 · H317-H410
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H317 (99.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H400 (98.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (98.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 114 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Regulation (EC) No 1107/2009 (amended)

Reg. (EU) No 2019/1138

Hazard Classes and CategoriesSkin Sens. 1B (99.1%)；Aquatic Acute 1 (98.2%)；Aquatic Chronic 1 (98.2%)

Regulatory information

Regulatory Information · 2 items

Regulation (EC) No 1107/2009 (amended)

Reg. (EU) No 2019/1138

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS09
Hazard statements: H317-H410
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501

Chemistry & industry

Applications

UsesFlorpyrauxifen Benzyl is used in herbicidal compositions.

Upstream & downstream products

Upstream raw materials

4-Pyridinamine, 2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(diethoxymethyl)-3-fluoro-N-(triphenylmethyl)-2-Pyridinecarboxaldehyde, 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-2-Pyridinecarboxylicacid,6-(4-chloro-2-fluoro-3-methoxyphenyl)-4,5-difluoro-,phenylmethylester 2-Pyridinecarboxylic acid, 4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-, phenylmethyl ester 2-Pyridinecarboxylic acid, 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-, phenylmethyl ester 2-Pyridinecarboxylic acid, 4,5,6-trichloro-, phenylmethyl ester 2-Pyridinecarboxylic acid, 4,5,6-trichloro-, methyl ester 4-Chloro-2-fluoro-3-methoxybenzylamine 4-Chloro-2-fluoro-3-methoxyphenylboronic acid 1,3-Dichloro-5,5-dimethylhydantoin 2-Ethylhexanol Benzyl alcohol

Additional notes · 1 item

DefinitionChEBI: Florpyrauxifen-benzyl is a benzyl ester resulting from the formal condensation of the carboxy group of florpyrauxifen with the hydroxy group of benzyl alcohol. An auxin herbicide developed by Dow AgroSciences. It has a role as a herbicide and a synthetic auxin. It is a benzyl ester, an aromatic ether, a biaryl, a member of monochlorobenzenes, a member of monofluorobenzenes and an aminopyridine. It is functionally related to a florpyrauxifen.