CAS RN: 122453-73-0
Chlorfenapyr
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-025371
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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
122453-73-0 / 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
Basic Information
CAS
122453-73-0
Multi CAS
No
Molecular Formula
C15H11BrClF3N2O
Molecular Weight
407.610000
Exact Mass
405.969540
SMILES
CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3
InChIKey
CWFOCCVIPCEQCK-UHFFFAOYSA-N
Physical Properties
Melting Point
100-101 °C
MP: 91-92 °C
Density
0.543 g/ml tapped bulk density
Physical Description
White solid; [Merck Index] Light tan or light yellow solid; [HSDB] White solid
Appearance
Light tan or light yellow powdered solid
White solid
State
Solid
Storage Conditions
Do not store below 32 °F. ... Store in a secure, dry, ventilated area away from children, livestock, and food. Do not store in direct sunlight or heat.
Safe Storage of Pesticides. Always store pesticides in their original containers, complete with labels that list ingredients, directions for use, and first aid steps in case of accidental poisoning. Never store pesticides in cabinets with or near food, animal feed, or medical supplies. Do not store pesticides in places where flooding is possible or in places where they might spill or leak into wells, drains, ground water, or surface water.
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
83.92
TPSA
37.95
LogP / Solubility
WLOGP
5.46
MLOGP
4.83
XLogP3
4.5
Consensus LogP
4.93
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
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)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Acute Toxic
Environmental Hazard
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H331: Toxic if inhaled [Danger Acute toxicity, inhalation]
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]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P270, P271, P273, P301+P317, P304+P340, P316, P321, P330, P391, P403+P233, P405, and P501
P260, P261, P264, P264+P265, P270, P271, P301+P317, P304+P340, P305+P351+P338, P308+P316, P316, P319, P321, P330, P337+P317, P403+P233, P405, and P501
