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CAS 123572-63-4 5-Fluoro-2-(trifluoroMethoxy)aniline molecular structure lightbox
CAS RN: 123572-63-4

5-Fluoro-2-(trifluoroMethoxy)aniline

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 1g In stock Inquiry
Batchno.20260420 25g In stock Inquiry
Batchno.20250513 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260422 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260521 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250808 500g In stock Shanghai Inquiry
Batchno.20260406 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-027313
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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: 25g
  • Available purity: ＞97%
  • 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 123572-63-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

123572-63-4 / 5-fluoro-2-(trifluoromethoxy)aniline

Standard CAS: 123572-63-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
123572-63-4
Multi CAS
No
Molecular Formula
C7H5F4NO
Molecular Weight
195.110000
Exact Mass
195.030726
SMILES
C1=CC(=C(C=C1F)N)OC(F)(F)F
InChI
InChI=1S/C7H5F4NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2
InChIKey
AUJAYNLPYRARLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.5
TPSA
35.25

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.5
Consensus LogP
2.28
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.27

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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