CAS RN: 433-94-3
2-Amino-3-chlorobenzotrifluoride
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: SSC-151561
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
433-94-3 / 2-chloro-6-(trifluoromethyl)aniline
Basic Information
CAS
433-94-3
Multi CAS
No
Molecular Formula
C7H5CLF3N
Molecular Weight
195.570000
Exact Mass
195.006261
InChI
InChI=1S/C7H5ClF3N/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2
InChIKey
OTRRSPQJZRCMDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.87
TPSA
26.02
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
2.8
Consensus LogP
2.78
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-1.82
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
