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CAS 455-13-0 4-Iodobenzotrifluoride (stabilized with Copper chip) molecular structure lightbox
CAS RN: 455-13-0

4-Iodobenzotrifluoride (stabilized with Copper chip)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250410 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-153224
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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: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 455-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 3 In Stock Shenzhen Inquiry
10g ≥98% 2 In Stock Beijing Inquiry
25g ≥98% 1 In Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry
1000g ≥98% 0 Out of Stock Shanghai Inquiry

455-13-0 / 1-iodo-4-(trifluoromethyl)benzene

Standard CAS: 455-13-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
455-13-0
Multi CAS
Yes
Molecular Formula
C7F3H4I
Molecular Weight
272.010000
Exact Mass
271.930980
InChI
InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
InChIKey
SKGRFPGOGCHDPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
44.16
TPSA
0.0000

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3.6
Consensus LogP
3.28
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.03

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

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