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CAS 13421-00-6 5-Chloro-2-iodobenzoic acid molecular structure lightbox
CAS RN: 13421-00-6

5-Chloro-2-iodobenzoic acid

Product Availability

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11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260610 100g In stock Inquiry
Batchno.20250429 25g In stock Inquiry
Batchno.20260507 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250316 100g In stock Shanghai, Wuhan Inquiry
Batchno.20250324 10g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260209 1g In stock Shanghai, Shandong Inquiry
Batchno.20250902 25g In stock Shenzhen, Tianjin Inquiry
Batchno.20250315 25g Out of stock 5-7 business days Inquiry
Batchno.20260105 500g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250614 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260311 5g In stock Shanghai Inquiry
  • Product code: SSC-041652
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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: ≥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 13421-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

13421-00-6 / 5-chloro-2-iodobenzoic acid

Standard CAS: 13421-00-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13421-00-6
Multi CAS
No
Molecular Formula
C7H4ClIO2
Molecular Weight
282.460000
Exact Mass
281.894450
SMILES
C1=CC(=C(C=C1Cl)C(=O)O)I
InChI
InChI=1S/C7H4ClIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey
NRPQWTVTBCRPEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.13
TPSA
37.3

LogP / Solubility

WLOGP
2.64
MLOGP
2.34
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.57

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)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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