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CAS 827-99-6 3-(Trifluoromethoxy)phenol molecular structure lightbox
CAS RN: 827-99-6

3-(Trifluoromethoxy)phenol

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 100g In stock Inquiry
Batchno.20250702 1g In stock Inquiry
Batchno.20250213 25g In stock Inquiry
Batchno.20251210 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 100g In stock Shanghai Inquiry
Batchno.20251103 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260603 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250210 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251123 500g In stock Shanghai Inquiry
Batchno.20260401 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-190769
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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, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 827-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

827-99-6 / 3-(trifluoromethoxy)phenol

Standard CAS: 827-99-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
827-99-6
Multi CAS
Yes
Molecular Formula
C7F3H5O2
Molecular Weight
178.110000
Exact Mass
178.024164
InChI
InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H
InChIKey
UWLJERQTLRORJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.79
TPSA
29.46

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
2.8
Consensus LogP
2.37
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
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)
-2.18

Drug-likeness / Medicinal Chemistry

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

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