CAS RN: 132554-73-5
3-FLUORO-4-IODOBENZOTRIFLUORIDE
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251208 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251011 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250214 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250214 | 25g | In stock | Tianjin | Inquiry |
| Batchno.20251012 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: starshine_CAS132554-73-5
- Purity/Analytical Methods: >99.0%
132554-73-5 / 2-fluoro-1-iodo-4-(trifluoromethyl)benzene
Basic Information
CAS
132554-73-5
Multi CAS
No
Molecular Formula
C7H3F4I
Molecular Weight
290.000000
Exact Mass
289.921560
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)I
InChI
InChI=1S/C7H3F4I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H
InChIKey
VQJMGRSHTFVCQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
4
Molar refractivity
44.12
TPSA
0.0000
LogP / Solubility
WLOGP
3.45
MLOGP
3.05
XLogP3
3.6
Consensus LogP
3.37
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly 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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): 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 (100%): 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
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