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CAS 81067-42-7 3,5-DIBROMO-1,2-DICHLOROBENZENE molecular structure lightbox
CAS RN: 81067-42-7

3,5-DIBROMO-1,2-DICHLOROBENZENE

  • Product code: SSC-189639
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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
  • 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 81067-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

81067-42-7 / 1,5-dibromo-2,3-dichlorobenzene

Standard CAS: 81067-42-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81067-42-7
Multi CAS
No
Molecular Formula
C6H2BR2CL2
Molecular Weight
304.790000
Exact Mass
303.787980
InChI
InChI=1S/C6H2Br2Cl2/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
SRGMUFKQUPKYQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Molar refractivity
51.86
TPSA
0.0000

LogP / Solubility

WLOGP
4.52
MLOGP
3.99
XLogP3
4.8
Consensus LogP
4.44
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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)
-1.37

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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