CAS RN: 105529-58-6
1-Bromo-3-fluoro-4-(trifluoromethoxy)benzene
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250629 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: SSC-007248
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: 1g, 5g, 10g, 25g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 4 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 3 In Stock | Beijing | Inquiry |
| 500g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
105529-58-6 / 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene
4-bromo-2-fluoro-1-(trifluoromethoxy)benzene | 4-Bromo-2-fluoro-1-trifluoromethoxybenzene | DTXSID20381984
Basic Information
CAS
105529-58-6
Multi CAS
Yes
Molecular Formula
C7H3BrF4O
Molecular Weight
259.000000
Exact Mass
257.930340
SMILES
C1=CC(=C(C=C1Br)F)OC(F)(F)F
InChI
InChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChIKey
SBSFDYRKNUCGBZ-UHFFFAOYSA-N
Synonyms
4-bromo-2-fluoro-1-(trifluoromethoxy)benzene
4-Bromo-2-fluoro-1-trifluoromethoxybenzene
DTXSID20381984
RefChem:519664
DTXCID20333009
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.78
TPSA
9.23
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
3.9
Consensus LogP
3.49
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H227 (28.6%): Combustible liquid [Warning Flammable liquids]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, and P501
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
