CAS RN: 146070-35-1
2-Fluoro-3-(trifluoromethyl)benzonitrile
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250420 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250205 | 10g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250729 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250129 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250429 | 500g | Out of stock | Inquiry | |
| Batchno.20260517 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: SSC-057189
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
146070-35-1 / 2-fluoro-3-(trifluoromethyl)benzonitrile
Basic Information
CAS
146070-35-1
Multi CAS
No
Molecular Formula
C8H3F4N
Molecular Weight
189.110000
Exact Mass
189.020162
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)F)C#N
InChI
InChI=1S/C8H3F4N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H
InChIKey
NMWOWGXPPBIZNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
Molar refractivity
36.12
TPSA
23.79
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.6
Consensus LogP
2.57
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-1.95
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 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
