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CAS 123973-22-8 2-AMINO-6-FLUOROBENZOTRIFLUORIDE molecular structure lightbox
CAS RN: 123973-22-8

2-AMINO-6-FLUOROBENZOTRIFLUORIDE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250403 10g In stock Inquiry
Batchno.20250206 1g In stock Inquiry
Batchno.20250805 250mg In stock Inquiry
Batchno.20250415 25g In stock Inquiry
Batchno.20260420 5g In stock Inquiry
  • Product code: SSC-027628
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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, 0.25g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 123973-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 4 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

123973-22-8 / 3-fluoro-2-(trifluoromethyl)aniline

Standard CAS: 123973-22-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
123973-22-8
Multi CAS
No
Molecular Formula
C7H5F4N
Molecular Weight
179.110000
Exact Mass
179.035812
SMILES
C1=CC(=C(C(=C1)F)C(F)(F)F)N
InChI
InChI=1S/C7H5F4N/c8-4-2-1-3-5(12)6(4)7(9,10)11/h1-3H,12H2
InChIKey
SJMDWKFHBPDEQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.81
TPSA
26.02

LogP / Solubility

WLOGP
2.43
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
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)
-2.09

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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501

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