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CAS 141517-21-7 Trifloxystrobin molecular structure lightbox
CAS RN: 141517-21-7

Trifloxystrobin

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250804 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251109 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250525 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260321 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS141517-21-7
  • Purity/Analytical Methods: >99.0%
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141517-21-7 / methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate

Standard CAS: 141517-21-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
141517-21-7
Multi CAS
No
Molecular Formula
C20H19F3N2O4
Molecular Weight
408.400000
Exact Mass
408.129692
SMILES
C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)/C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+
InChIKey
ONCZDRURRATYFI-TVJDWZFNSA-N

Physical Properties

Melting Point
72.9 °C
Boiling Point
approximately 312 °C
Density
1.36 g/mL at 21 °C
Physical Description
White odorless solid; [Merck Index]
Appearance
White powder
State
Solid
Storage Conditions
Store in a cool, dry place and in such a manner as to prevent cross contamination with other pesticides, fertilizers, food, and feed. Store in original container and out of the reach of children, preferably in a locked storage area. Store in a well-ventilated, secure area out of reach of children and domestic animals. Do not eat, drink, smoke, or apply cosmetics; wash thoroughly after handling.

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
100.45
TPSA
69.48

LogP / Solubility

WLOGP
4.17
MLOGP
3.69
XLogP3
4.9
Consensus LogP
4.25
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard Health Hazard
Signal
Warning
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H362: May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H317 (99.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P203, P260, P261, P263, P264, P270, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, and P501 P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, and P501 P260, P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P319, P321, P333+P317, P337+P317, P362+P364, and P501 P261, P271, P272, P273, P280, P302+P352, P304+P340, P317, P321, P333+P317, P362+P364, P391, and P501

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