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CAS 400-75-9 2-(Trifluoromethyl)-1-iodo-4-nitrobenzene molecular structure lightbox
CAS RN: 400-75-9

2-(Trifluoromethyl)-1-iodo-4-nitrobenzene

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250729 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250820 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-147853
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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: 1g
  • 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 400-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

400-75-9 / 1-iodo-4-nitro-2-(trifluoromethyl)benzene

Standard CAS: 400-75-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
400-75-9
Multi CAS
Yes
Molecular Formula
C7F3H3InO2
Molecular Weight
317.000000
Exact Mass
316.916060
InChI
InChI=1S/C7H3F3INO2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H
InChIKey
HUFFQIQKEINJNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.82
TPSA
43.14

LogP / Solubility

WLOGP
3.22
MLOGP
2.85
XLogP3
3.3
Consensus LogP
3.12
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

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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