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CAS 1145881-54-4 1,3-Difluoro-2-iodo-4-nitrobenzene molecular structure lightbox
CAS RN: 1145881-54-4

1,3-Difluoro-2-iodo-4-nitrobenzene

Product Availability

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 1g In stock Inquiry
Batchno.20250115 250mg In stock Inquiry
Batchno.20260317 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251018 10g In stock Shanghai Inquiry
Batchno.20250723 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260322 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251111 25g In stock Shanghai Inquiry
Batchno.20251003 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-014305
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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 1145881-54-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1145881-54-4 / 1,3-difluoro-2-iodo-4-nitrobenzene

1,3-difluoro-2-iodo-4-nitrobenzene | RefChem:414403 | 961-344-3

Standard CAS: 1145881-54-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1145881-54-4
Multi CAS
No
Molecular Formula
C6H2F2INO2
Molecular Weight
284.990000
Exact Mass
284.909830
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])F)I)F
InChI
InChI=1S/C6H2F2INO2/c7-3-1-2-4(10(11)12)5(8)6(3)9/h1-2H
InChIKey
ZYLPUHQHTBTCBM-UHFFFAOYSA-N
Synonyms
1,3-difluoro-2-iodo-4-nitrobenzene RefChem:414403 961-344-3 MFCD28789221 HE-CHEMICAL 0400895

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.73
TPSA
43.14

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
2.6
Consensus LogP
2.42
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.7

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 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): 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 (100%): 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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