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CAS 105202-02-6 3-Amino-4-iodobenzotrifluoride molecular structure lightbox
CAS RN: 105202-02-6

3-Amino-4-iodobenzotrifluoride

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250302 10g In stock Shanghai Inquiry
Batchno.20260307 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250926 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260411 25g Out of stock Inquiry
Batchno.20250810 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-006923
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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
  • Available purity: ≥95%
  • 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 105202-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

105202-02-6 / 2-iodo-5-(trifluoromethyl)aniline

3-Amino-4-iodobenzotrifluoride | 2-iodo-5-(trifluoromethyl)aniline | MFCD04972658

Standard CAS: 105202-02-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105202-02-6
Multi CAS
No
Molecular Formula
C7H5F3IN
Molecular Weight
287.020000
Exact Mass
286.941880
SMILES
C1=CC(=C(C=C1C(F)(F)F)N)I
InChI
InChI=1S/C7H5F3IN/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,12H2
InChIKey
KJTQOUZTJKNWGK-UHFFFAOYSA-N
Synonyms
3-Amino-4-iodobenzotrifluoride 2-iodo-5-(trifluoromethyl)aniline MFCD04972658 Benzenamine, 2-iodo-5-(trifluoromethyl)- SCHEMBL1441204

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 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): 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] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
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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