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CAS 454-79-5 3-Amino-4-bromobenzotrifluoride molecular structure lightbox
CAS RN: 454-79-5

3-Amino-4-bromobenzotrifluoride

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251110 100g In stock Inquiry
Batchno.20251013 10g In stock Inquiry
Batchno.20250310 1g In stock Inquiry
Batchno.20250414 25g In stock Inquiry
Batchno.20250718 500g Out of stock Inquiry
Batchno.20260127 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250227 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260419 1g / 5g / 25g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: SSC-153141
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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, 25g, 100g, 10g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 454-79-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shenzhen Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
100g ≥98% 5 In Stock Hong Kong Inquiry
10g ≥98% 2 In Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Beijing Inquiry

454-79-5 / 4-bromo-2-(trifluoromethyl)aniline

Standard CAS: 454-79-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
454-79-5
Multi CAS
Yes
Molecular Formula
BC7H5NRf3
Molecular Weight
240.020000
Exact Mass
238.955750
InChI
InChI=1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
InChIKey
PHXGKHTWEOPCEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.56
TPSA
26.02

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.8
Consensus LogP
2.85
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-2.02

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

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