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CAS 85072-44-2 2-Bromo-5-chloro-p-xylene molecular structure lightbox
CAS RN: 85072-44-2

2-Bromo-5-chloro-p-xylene

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251004 100g In stock Inquiry
Batchno.20250908 25g In stock Inquiry
Batchno.20250503 5g In stock Inquiry
Batchno.20250205 5g / 25g / 100g / 500g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-193100
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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 85072-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

85072-44-2 / 1-bromo-4-chloro-2,5-dimethylbenzene

Standard CAS: 85072-44-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85072-44-2
Multi CAS
No
Molecular Formula
C8H8BRCL
Molecular Weight
219.500000
Exact Mass
217.949790
InChI
InChI=1S/C8H8BrCl/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,1-2H3
InChIKey
SJEYWTLIMGCRGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Molar refractivity
48.63
TPSA
0.0000

LogP / Solubility

WLOGP
3.72
MLOGP
3.28
XLogP3
4
Consensus LogP
3.67
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
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)
-1.42

Drug-likeness / Medicinal Chemistry

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

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