CAS RN: 709-98-8
Propanil solution, 0.100mg/ml
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-180601
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
709-98-8 / N-(3,4-dichlorophenyl)propanamide
Basic Information
CAS
709-98-8
Multi CAS
Yes
Molecular Formula
C9H9CL2NO
Molecular Weight
218.080000
Exact Mass
217.006119
InChI
InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKey
LFULEKSKNZEWOE-UHFFFAOYSA-N
Physical Properties
Melting Point
92 °C
92-93 °C
Boiling Point
351 °C
Density
1.25 g/cu cm at 25 °C
Density (at 25 °C): 1.4 g/cm³
Physical Description
Propanil appears as colorless to brown crystals. Non corrosive. Used as an herbicide.
White solid; [Merck Index] Colorless, white, or light brown odorless solid; [HSDB] Medium to dark grey solid; Formulated as emulsifiable, soluble, and flowable concentrate liquids and as water dispersible granules; [Reference #2]
COLOURLESS CRYSTALS.
Appearance
White crystalline solid /Purity not provided/
Colorless crystals /Purity not provided/
Light brown solid (pure)
Dark oily liquid
Solid, white-gray
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.38
TPSA
29.1
LogP / Solubility
WLOGP
3.34
MLOGP
2.94
XLogP3
3.1
Consensus LogP
3.13
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly 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)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
