CAS RN: 179111-13-8
4-CHLORO-2-FLUOROBENZOTRICHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260525 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-079810
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: ＞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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
179111-13-8 / 4-chloro-2-fluoro-1-(trichloromethyl)benzene
Basic Information
CAS
179111-13-8
Multi CAS
No
Molecular Formula
C7H3Cl4F
Molecular Weight
247.900000
Exact Mass
247.894339
SMILES
C1=CC(=C(C=C1Cl)F)C(Cl)(Cl)Cl
InChI
InChI=1S/C7H3Cl4F/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H
InChIKey
ACYJYVSUQNUQDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
Molar refractivity
50.65
TPSA
0.0000
LogP / Solubility
WLOGP
4.31
MLOGP
3.79
XLogP3
4.3
Consensus LogP
4.13
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18
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
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