Basic information
- Standard SMILES
Cc1nn(C)c(Oc2ccccc2)c1/C=N\OCc1ccc(C(=O)OC(C)(C)C)cc1- InChIKey
YYJNOYZRYGDPNH-MYYYXRDXSA-N- Molecular formula
- C24H27N3O4
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.20015634
Overview
See also: Fenpyroximate (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Fenpyroximate, (Z)-
- IUPAC
- tert-butyl 4-[[(Z)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate
- English name
- Z)-FENPYROXIMATE STANDARD
- Molecular formula
- C24H27N3O4
- Molecular weight
- 421.49
Names & synonyms
(Z)-FenpyroximateFenpyroximate, (Z)-149054-53-5cis-Fenpyroximate6KU62C19KYDTXSID701106000Benzoic acid, 4-(((((1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene)amino)oxy)methyl)-, 1,1-dimethylethyl ester, (Z)-Benzoic acid, 4-((((Z)-((1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene)amino)oxy)methyl)-, 1,1-dimethylethyl esterBenzoic acid, 4-[[[(Z)-[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]-, 1,1-dimethylethyl esterRefChem:598914DTXCID00209495811-280-6
Show more names
Dodemorph Impurity 6(Z)-Fenpyroximate in Acetone(Z)-Fenpyroximate 100 μg/mL in AcetonitrileXA13545200AL(Z)-FenpyroximatE100μg/mLin Acet
tert-butyl 4-[[(Z)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoateZ)-FENPYROXIMATE STANDARD111812-58-9UNII-6KU62C19KY(Z)-Fenpyroximate 100 |Ig/mL in Acetonitrile(Z)-Fenpyroximate 100 microg/mL in AcetonitrileQ27265074
Database identifiers
- CAS
149054-53-5- PubChem CID
- 6002001
- DTXSID
DTXSID701106000- UNII
- 6KU62C19KY
- EC Number
- 811-280-6
- Nikkaji
- J1.160.369F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 592
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticides (parent, predecessor)
Collision Cross Section215.89 Ų [M+H]+ [CCS Type: TW]
Physicochemical properties
- Melting point
- 48 · 48~53℃
- InChI
- InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15-
- InChIKey
- YYJNOYZRYGDPNH-MYYYXRDXSA-N
- SMILES
- C(OC(C)(C)C)(=O)C1=CC=C(CO/N=C\C2=C(OC3=CC=CC=C3)N(C)N=C2C)C=C1
- FDA UNII
- 6 KU62C19KY · 6KU62C19KY
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H410
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
Suppliers4 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Related reactions
3 records
Linked notes
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