CAS RN: 2905-60-4
2,3-Dichlorobenzoyl Chloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260212 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: ICTD3206
- Purity/Analytical Methods: >98.0%(GC)(T)
2905-60-4 / 2,3-dichlorobenzoyl chloride
Basic Information
CAS
2905-60-4
Multi CAS
Yes
Molecular Formula
C7H3CL3O
Molecular Weight
209.500000
Exact Mass
207.924948
InChI
InChI=1S/C7H3Cl3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H
InChIKey
YBONBWJSFMTXLE-UHFFFAOYSA-N
Physical Properties
Physical Description
White or light brown solid; mp = 30-32 deg C
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.65
TPSA
17.07
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
3.7
Consensus LogP
3.35
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-1.6
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
Customers Also Viewed
-
-
-
-
2,3-Dibromopropionyl Chloride
- CAS RN: 18791-02-1
- Product Code: ICTD3288
- Purity/Analytical method: >98.0%(T)
-
-
