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CAS 7745-93-9 2-Bromo-4-nitrotoluene molecular structure lightbox
CAS RN: 7745-93-9

2-Bromo-4-nitrotoluene

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260220 100g In stock Inquiry
Batchno.20260203 25g In stock Inquiry
Batchno.20250221 500g In stock Inquiry
Batchno.20250526 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250421 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-187007
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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: 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 7745-93-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 2 In Stock Shanghai Inquiry
100g ≥98% 1 In Stock Hong Kong Inquiry

7745-93-9 / 2-bromo-1-methyl-4-nitrobenzene

Standard CAS: 7745-93-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7745-93-9
Multi CAS
No
Molecular Formula
BC7H6O2Rn
Molecular Weight
216.030000
Exact Mass
214.958190
InChI
InChI=1S/C7H6BrNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
InChIKey
XFZFJQHXWJIBQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.53
TPSA
43.14

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
3.2
Consensus LogP
2.74
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.15

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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