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CAS 535-52-4 3-Amino-4-fluorobenzotrifluoride molecular structure lightbox
CAS RN: 535-52-4

3-Amino-4-fluorobenzotrifluoride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250817 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-160857
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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, 100g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 535-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
100g >97% 1 In Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

535-52-4 / 2-fluoro-5-(trifluoromethyl)aniline

Standard CAS: 535-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
535-52-4
Multi CAS
No
Molecular Formula
C7F4H5N
Molecular Weight
179.110000
Exact Mass
179.035812
InChI
InChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
InChIKey
DRKWGMXFFCPZLW-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
35.81
TPSA
26.02

LogP / Solubility

WLOGP
2.43
MLOGP
2.13
XLogP3
2.5
Consensus LogP
2.35
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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