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CAS 113305-56-9 4-IODO-3-NITROPHENOL molecular structure lightbox
CAS RN: 113305-56-9

4-IODO-3-NITROPHENOL

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 100g Out of stock Inquiry
Batchno.20250215 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250321 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20251217 25g In stock Shanghai Inquiry
Batchno.20250303 5g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-013463
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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
  • 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 113305-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

113305-56-9 / 4-iodo-3-nitrophenol

4-Iodo-3-nitrophenol | DTXSID50369917 | RefChem:293539

Standard CAS: 113305-56-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113305-56-9
Multi CAS
No
Molecular Formula
C6H4INO3
Molecular Weight
265.010000
Exact Mass
264.923590
SMILES
C1=CC(=C(C=C1O)[N+](=O)[O-])I
InChI
InChI=1S/C6H4INO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H
InChIKey
QCKXOEOOXJUACP-UHFFFAOYSA-N
Synonyms
4-Iodo-3-nitrophenol DTXSID50369917 RefChem:293539 DTXCID60320953 641-227-0

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.48
TPSA
63.37

LogP / Solubility

WLOGP
1.9
MLOGP
1.68
XLogP3
2
Consensus LogP
1.86
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
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)
-2.98

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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501

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