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CAS 197243-48-4 2-IODO-3-NITROPHENOL molecular structure lightbox
CAS RN: 197243-48-4

2-IODO-3-NITROPHENOL

  • Product code: SSC-093018
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 197243-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 3 In Stock Hong Kong Inquiry
0.25g ≥95% 3 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
10g ≥95% 1 In Stock Shanghai Inquiry

197243-48-4 / 2-iodo-3-nitrophenol

Standard CAS: 197243-48-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
197243-48-4
Multi CAS
No
Molecular Formula
C6H4INO3
Molecular Weight
265.010000
Exact Mass
264.923590
SMILES
C1=CC(=C(C(=C1)O)I)[N+](=O)[O-]
InChI
InChI=1S/C6H4INO3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H
InChIKey
BFXOSMOZBIBXHU-UHFFFAOYSA-N

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)
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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