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CAS 22236-08-4 3-(Difluoromethoxy)aniline molecular structure lightbox
CAS RN: 22236-08-4

3-(Difluoromethoxy)aniline

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250320 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250511 10g In stock Shanghai Inquiry
Batchno.20250708 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260304 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251120 500g Out of stock Inquiry
Batchno.20250124 5g In stock Shanghai Inquiry
  • Product code: SSC-107061
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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: 1g, 25g, 10g, 5g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 22236-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
25g ≥97% 5 In Stock Shanghai Inquiry
10g ≥97% 4 In Stock Shanghai Inquiry
5g ≥97% 2 In Stock Shenzhen Inquiry
100g ≥97% 1 In Stock Shanghai Inquiry

22236-08-4 / 3-(difluoromethoxy)aniline

Standard CAS: 22236-08-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22236-08-4
Multi CAS
No
Molecular Formula
C7H7F2NO
Molecular Weight
159.130000
Exact Mass
159.049570
SMILES
C1=CC(=CC(=C1)OC(F)F)N
InChI
InChI=1S/C7H7F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-4,7H,10H2
InChIKey
RSOFZRXRIPVBBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.49
TPSA
35.25

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
1.9
Consensus LogP
1.8
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.36

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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