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CAS 13101-40-1 1-Bromo-3-chloro-5-iodobenzene molecular structure lightbox
CAS RN: 13101-40-1

1-Bromo-3-chloro-5-iodobenzene

Product Availability

Choose a grade to view its available package options.

14 package records14 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 100g In stock Inquiry
Batchno.20250523 10g In stock Inquiry
Batchno.20251007 1g In stock Inquiry
Batchno.20260131 25g In stock Inquiry
Batchno.20250408 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250207 5g / 10g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251010 100g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251012 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250429 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260413 1kg In stock Shanghai Inquiry
Batchno.20250418 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250809 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251124 500g In stock Shanghai, Shenzhen Inquiry
Batchno.20250502 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-037625
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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: 1g, 5g, 10g, 25g
  • 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 13101-40-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

13101-40-1 / 1-bromo-3-chloro-5-iodobenzene

Standard CAS: 13101-40-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13101-40-1
Multi CAS
No
Molecular Formula
C6H3BrClI
Molecular Weight
317.350000
Exact Mass
315.815140
SMILES
C1=C(C=C(C=C1Br)I)Cl
InChI
InChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey
RSGRRCWDCXLEHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Molar refractivity
51.87
TPSA
0.0000

LogP / Solubility

WLOGP
3.71
MLOGP
3.28
XLogP3
3.9
Consensus LogP
3.63
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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
No
Log Kp (skin permeation)
-2.02

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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