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CAS 116272-41-4 3-Iodo-4-fluorobromobenzene molecular structure lightbox
CAS RN: 116272-41-4

3-Iodo-4-fluorobromobenzene

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250213 100g In stock Inquiry
Batchno.20250504 10g In stock Inquiry
Batchno.20250428 25g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250207 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250228 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250626 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260206 500g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-016372
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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: >98%
  • 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 116272-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 0 Out of Stock Shanghai Inquiry
10g >98% 0 Out of Stock Hong Kong Inquiry
25g >98% 0 Out of Stock Shanghai Inquiry
100g >98% 0 Out of Stock Hong Kong Inquiry

116272-41-4 / 4-bromo-1-fluoro-2-iodobenzene

4-bromo-1-fluoro-2-iodobenzene | DTXSID90382266 | RefChem:290486

Standard CAS: 116272-41-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116272-41-4
Multi CAS
Yes
Molecular Formula
C6H3BrFI
Molecular Weight
300.890000
Exact Mass
299.844690
SMILES
C1=CC(=C(C=C1Br)I)F
InChI
InChI=1S/C6H3BrFI/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
JNETZJWWXCLUKM-UHFFFAOYSA-N
Synonyms
4-bromo-1-fluoro-2-iodobenzene DTXSID90382266 RefChem:290486 DTXCID70333291 687-956-8

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
46.82
TPSA
0.0000

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
3.4
Consensus LogP
3.14
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
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)
-2.29

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 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.7%): 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 (66.7%): 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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