CAS RN: 105512-06-9
Clodinafop-propargyl
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock3 grade groups
- Product code: SSC-007231
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 |
105512-06-9 / prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
Clodinafop-Propargyl | Topik | Discover
Basic Information
CAS
105512-06-9
Multi CAS
Yes
Molecular Formula
C17H13ClFNO4
Molecular Weight
349.700000
Exact Mass
349.051714
SMILES
C[C@H](C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F
InChI
InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1
InChIKey
JBDHZKLJNAIJNC-LLVKDONJSA-N
Synonyms
Clodinafop-Propargyl
Topik
Discover
Discover Herbicide
QEH394TY6Y
Physical Properties
Melting Point
59.5 °C
MP: 48.2-57.1 °C /Technical/
Density
1.37 g/mL at 22 °C
Liquid; density: 1.076 g/mL; pH 4-6 /End-use product/
Physical Description
Cream-colored odorless solid; [HSDB] light beige crystalline solid
Appearance
Colorless crystals
Crystalline solid
Cream powder
State
Solid
Storage Conditions
Do not contaminate water, food, or feed by storage or disposal. Do not use in animal feeds. Store in a cool, dry place. /Discover Herbicide/
Store the material in a well-ventilated, secure area out of reach of children and domestic animals. Do not store food, beverages or tobacco products in the storage area. Prevent eating, drinking, tobacco use, and cosmetic application in areas where there is a potential for exposure to the material. Wash thoroughly with soap and water after handling. /Discover Herbicide/
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
85.6
TPSA
57.65
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
3.9
Consensus LogP
3.57
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
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
3
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
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]
Precautionary Statement Codes
P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P319, P321, P330, P333+P317, P362+P364, P391, and P501
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Metribuzin
- CAS RN: 21087-64-9
- Product Code: ICTM3383
- Purity/Analytical method: >98.0%(GC)(T)
