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CAS 885519-13-1 4-BROMO-2-CHLORO-6-NITROTOLUENE molecular structure lightbox
CAS RN: 885519-13-1

4-BROMO-2-CHLORO-6-NITROTOLUENE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-199530
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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: ＞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 885519-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

885519-13-1 / 5-bromo-1-chloro-2-methyl-3-nitrobenzene

Standard CAS: 885519-13-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885519-13-1
Multi CAS
Yes
Molecular Formula
C7H5BRCLNO2
Molecular Weight
250.480000
Exact Mass
248.919220
InChI
InChI=1S/C7H5BrClNO2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,1H3
InChIKey
KQMXGSGRIHBQGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.54
TPSA
43.14

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
3.4
Consensus LogP
3.22
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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