CAS RN: 138526-69-9
1-Bromo-3,4,5-trifluorobenzene
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
- Product code: SSC-048521
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: 5g, 10g, 25g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 4 In Stock | Shenzhen | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
138526-69-9 / 5-bromo-1,2,3-trifluorobenzene
Basic Information
CAS
138526-69-9
Multi CAS
No
Molecular Formula
C6H2BrF3
Molecular Weight
210.980000
Exact Mass
209.929200
SMILES
C1=C(C=C(C(=C1F)F)F)Br
InChI
InChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
HKJCELUUIFFSIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
34.02
TPSA
0.0000
LogP / Solubility
WLOGP
2.87
MLOGP
2.52
XLogP3
3
Consensus LogP
2.8
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-1.97
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
Safety & Transport
Pictogram(s)
Flammable
Corrosive
Health Hazard
Environmental Hazard
Irritant
Signal
Danger
Warning
GHS Hazard Statements
H226: Flammable liquid and vapor [Warning Flammable liquids]
H315: Causes skin irritation [Warning Skin corrosion/irritation]
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
H351: Suspected of causing cancer [Warning Carcinogenicity]
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P318, P321, P332+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P273, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P318, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
