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CAS 1133123-02-0 2-Iodo-4-bromobenzoic acid molecular structure lightbox
CAS RN: 1133123-02-0

2-Iodo-4-bromobenzoic acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 100g In stock Shanghai Inquiry
Batchno.20250818 10g In stock Shanghai, Tianjin Inquiry
Batchno.20251001 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250718 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250121 500g In stock Shanghai Inquiry
Batchno.20250907 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-013478
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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: 5g, 25g, 10g, 1g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1133123-02-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
25g >95% 4 In Stock Beijing Inquiry
10g >95% 3 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry
100g >95% 0 Out of Stock Hong Kong Inquiry
500g >95% 0 Out of Stock Shenzhen Inquiry

1133123-02-0 / 4-bromo-2-iodobenzoic acid

4-bromo-2-iodobenzoic acid | DTXSID20597987 | RefChem:290745

Standard CAS: 1133123-02-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1133123-02-0
Multi CAS
No
Molecular Formula
C7H4BrIO2
Molecular Weight
326.910000
Exact Mass
325.843940
SMILES
C1=CC(=C(C=C1Br)I)C(=O)O
InChI
InChI=1S/C7H4BrIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey
JYNKVVLDGGRVFE-UHFFFAOYSA-N
Synonyms
4-bromo-2-iodobenzoic acid DTXSID20597987 RefChem:290745 DTXCID10548746 805-050-4

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
53.82
TPSA
37.3

LogP / Solubility

WLOGP
2.75
MLOGP
2.44
XLogP3
2.8
Consensus LogP
2.66
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
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)
-2.76

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 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (25%): 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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