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CAS 81067-38-1 1-BROMO-2,3,5-TRICHLOROBENZENE molecular structure lightbox
CAS RN: 81067-38-1

1-BROMO-2,3,5-TRICHLOROBENZENE

  • Product code: SSC-189637
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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: 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 81067-38-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

81067-38-1 / 1-bromo-2,3,5-trichlorobenzene

Standard CAS: 81067-38-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81067-38-1
Multi CAS
No
Molecular Formula
C6H2BRCL3
Molecular Weight
260.300000
Exact Mass
257.840550
InChI
InChI=1S/C6H2BrCl3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
InChIKey
WOIGJFAVHOCDDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Molar refractivity
49.17
TPSA
0.0000

LogP / Solubility

WLOGP
4.41
MLOGP
3.89
XLogP3
4.7
Consensus LogP
4.33
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18

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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