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CAS 158062-67-0 Flonicamid molecular structure lightbox
CAS RN: 158062-67-0

Flonicamid

  • Product code: SSC-066671
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 158062-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

158062-67-0 / N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

Standard CAS: 158062-67-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
158062-67-0
Multi CAS
No
Molecular Formula
C9H6F3N3O
Molecular Weight
229.160000
Exact Mass
229.046296
SMILES
C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N
InChI
InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)
InChIKey
RLQJEEJISHYWON-UHFFFAOYSA-N

Physical Properties

Melting Point
157.5 °C
Density
1.531 at 20 °C
Appearance
White crystalline powder
State
Solid
Storage Conditions
Pesticide storage: Keep out of reach of children and animals. Store in original containers only. Store in a cool, dry place and avoid excess heat. Carefully open containers. After partial use, fold and roll back bags, clamp and close tightly. Do not put concentrate or dilute material into food or drink containers. Do not contaminate other pesticides, fertilizers, water, food or feed by storage or disposal. /Beleaf 50 SG Insecticide/

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.19
TPSA
65.78

LogP / Solubility

WLOGP
1.35
MLOGP
1.19
XLogP3
0.8
Consensus LogP
1.11
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501 P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501

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