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CAS 163444-17-5 2-Iodo-4-(trifluoromethyl)aniline molecular structure lightbox
CAS RN: 163444-17-5

2-Iodo-4-(trifluoromethyl)aniline

Product Availability

Choose a grade to view its available package options.

11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251104 100g In stock Inquiry
Batchno.20260701 10g In stock Inquiry
Batchno.20250401 25g In stock Inquiry
Batchno.20250423 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260217 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250704 1kg In stock Shanghai Inquiry
Batchno.20250709 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250918 500g In stock Shanghai Inquiry
Batchno.20250710 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260115 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-071000
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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: ≥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 163444-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

163444-17-5 / 2-iodo-4-(trifluoromethyl)aniline

Standard CAS: 163444-17-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
163444-17-5
Multi CAS
No
Molecular Formula
C7H5F3IN
Molecular Weight
287.020000
Exact Mass
286.941880
SMILES
C1=CC(=C(C=C1C(F)(F)F)I)N
InChI
InChI=1S/C7H5F3IN/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3H,12H2
InChIKey
UKKWTZPXYIYONW-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
48.57
TPSA
26.02

LogP / Solubility

WLOGP
2.89
MLOGP
2.56
XLogP3
2.8
Consensus LogP
2.75
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (11.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (77.8%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye 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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