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CAS 456-46-2 3-(FluoroMethyl)aniline molecular structure lightbox
CAS RN: 456-46-2

3-(FluoroMethyl)aniline

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250918 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250205 100mg In stock Shanghai Inquiry
Batchno.20250826 1g In stock Shanghai Inquiry
Batchno.20250916 250mg In stock Shanghai Inquiry
Batchno.20250220 5g In stock Shanghai Inquiry
  • Product code: SSC-153330
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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: 0.1g, 5g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 456-46-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shenzhen Inquiry

456-46-2 / 3-(fluoromethyl)aniline

Standard CAS: 456-46-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
456-46-2
Multi CAS
No
Molecular Formula
C7FH8N
Molecular Weight
125.140000
Exact Mass
125.064077
InChI
InChI=1S/C7H8FN/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,9H2
InChIKey
XKGDSQJAWPPBHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.67
TPSA
26.02

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
1
Consensus LogP
1.42
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.25

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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