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CAS 116272-42-5 5-Chloro-2-fluoroiodobenzene molecular structure lightbox
CAS RN: 116272-42-5

5-Chloro-2-fluoroiodobenzene

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260609 100g In stock Shanghai Inquiry
Batchno.20250328 10g In stock Shanghai Inquiry
Batchno.20260326 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250612 500g In stock Shanghai Inquiry
Batchno.20250402 5g In stock Shanghai Inquiry
Batchno.20260623 5g / 10g / 25g / 100g / 500g Out of stock 15 business days Inquiry
  • Product code: SSC-016373
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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: 25g
  • 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 116272-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

116272-42-5 / 4-chloro-1-fluoro-2-iodobenzene

4-chloro-1-fluoro-2-iodobenzene | DTXSID40378614 | RefChem:291302

Standard CAS: 116272-42-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116272-42-5
Multi CAS
No
Molecular Formula
C6H3ClFI
Molecular Weight
256.440000
Exact Mass
255.895200
SMILES
C1=CC(=C(C=C1Cl)I)F
InChI
InChI=1S/C6H3ClFI/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
CNJQPBYTHITJAO-UHFFFAOYSA-N
Synonyms
4-chloro-1-fluoro-2-iodobenzene DTXSID40378614 RefChem:291302 DTXCID40329641 672-498-3

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
44.13
TPSA
0.0000

LogP / Solubility

WLOGP
3.08
MLOGP
2.72
XLogP3
3.3
Consensus LogP
3.03
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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