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CAS 454-82-0 2-HYDROXY-4-(TRIFLUOROMETHYL)ANILINE molecular structure lightbox
CAS RN: 454-82-0

2-HYDROXY-4-(TRIFLUOROMETHYL)ANILINE

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250816 1g In stock Inquiry
Batchno.20250503 250mg In stock Inquiry
Batchno.20250915 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260410 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260626 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250131 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-153143
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 454-82-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

454-82-0 / 2-amino-5-(trifluoromethyl)phenol

Standard CAS: 454-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
454-82-0
Multi CAS
No
Molecular Formula
C7F3H6NO
Molecular Weight
177.120000
Exact Mass
177.040148
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H,11H2
InChIKey
ILZRAAUVZAXXKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.52
TPSA
46.25

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.39

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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