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CAS 1261649-03-9 2-BROMO-3-IODOBENZYL BROMIDE molecular structure lightbox
CAS RN: 1261649-03-9

2-BROMO-3-IODOBENZYL BROMIDE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 100mg In stock Shanghai Inquiry
Batchno.20260308 1g Out of stock Inquiry
Batchno.20250818 250mg In stock Shanghai Inquiry
  • Product code: SSC-032761
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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: 0.25g
  • 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 1261649-03-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1261649-03-9 / 2-bromo-1-(bromomethyl)-3-iodobenzene

Standard CAS: 1261649-03-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1261649-03-9
Multi CAS
No
Molecular Formula
C7H5Br2I
Molecular Weight
375.830000
Exact Mass
375.778220
SMILES
C1=CC(=C(C(=C1)I)Br)CBr
InChI
InChI=1S/C7H5Br2I/c8-4-5-2-1-3-6(10)7(5)9/h1-3H,4H2
InChIKey
KDGFTIJXTPBJBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
Molar refractivity
59.49
TPSA
0.0000

LogP / Solubility

WLOGP
3.95
MLOGP
3.5
XLogP3
3.8
Consensus LogP
3.75
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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