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CAS 219817-43-3 1-BROMO-3-CHLORO-5-NITROBENZENE molecular structure lightbox
CAS RN: 219817-43-3

1-BROMO-3-CHLORO-5-NITROBENZENE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251116 100g In stock Shanghai Inquiry
Batchno.20250702 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250709 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251231 25g In stock Shanghai, Chengdu Inquiry
Batchno.20260629 500g In stock Shanghai Inquiry
Batchno.20250509 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-105725
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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, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 219817-43-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

219817-43-3 / 1-bromo-3-chloro-5-nitrobenzene

Standard CAS: 219817-43-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219817-43-3
Multi CAS
No
Molecular Formula
C6H3BrClNO2
Molecular Weight
236.450000
Exact Mass
234.903570
SMILES
C1=C(C=C(C=C1Cl)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H3BrClNO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChIKey
CVXDZAQINLBEIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.81
TPSA
43.14

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
3.2
Consensus LogP
2.95
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.02

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

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