CAS RN: 1702-17-6
3,6-Dichloro-2-pyridinecarboxylic Acid
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-074803
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: >97%
- 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 |
|---|---|---|---|---|
| 100g | >97% | 0 Out of Stock | Shanghai | Inquiry |
1702-17-6 / 3,6-dichloropyridine-2-carboxylic acid
Basic Information
CAS
1702-17-6
Multi CAS
No
Molecular Formula
C6H3Cl2NO2
Molecular Weight
192.000000
Exact Mass
190.954084
SMILES
C1=CC(=NC(=C1Cl)C(=O)O)Cl
InChI
InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
InChIKey
HUBANNPOLNYSAD-UHFFFAOYSA-N
Physical Properties
Melting Point
151-152 °C
Physical Description
White odorless solid; [Merck Index] Colorless or white odorless solid; [ICSC] White powder;
ODOURLESS WHITE OR COLOURLESS CRYSTALS.
Appearance
White crystalline solid
Colorless crystals
State
Solid
Storage Conditions
Do NOT store or transport in containers made from aluminium.
Do not store or transport in containers made from aluminium.
Do not contaminate water, food, or feed by storage ... Store above 28 °F or warm to 40 °F and agitate before use. /Lontrel Turf and Ornamental/
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.22
TPSA
50.19
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.3
Consensus LogP
2.08
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
H318 (99.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H410 (15.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H411 (33.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501
