CAS RN: 177596-38-2
3-Fluoro-4-(trifluoromethoxy)phenol
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260616 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260110 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260406 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250530 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251016 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250524 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-077644
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 |
177596-38-2 / 3-fluoro-4-(trifluoromethoxy)phenol
Basic Information
CAS
177596-38-2
Multi CAS
No
Molecular Formula
C7H4F4O2
Molecular Weight
196.100000
Exact Mass
196.014742
SMILES
C1=CC(=C(C=C1O)F)OC(F)(F)F
InChI
InChI=1S/C7H4F4O2/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3,12H
InChIKey
UTFSPWRTXCDUIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.75
TPSA
29.46
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.8
Consensus LogP
2.46
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
