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CAS 261952-20-9 2-Bromo-5-methylbenzotrifluoride molecular structure lightbox
CAS RN: 261952-20-9

2-Bromo-5-methylbenzotrifluoride

Product Availability

Choose a grade to view its available package options.

6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260403 1g In stock Inquiry
Batchno.20250222 25g Out of stock Inquiry
Batchno.20250505 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 1g In stock Shanghai, Shandong Inquiry
Batchno.20250720 25g Out of stock 5-7 business days Inquiry
Batchno.20260427 5g In stock Shandong Inquiry
  • Product code: SSC-123342
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • 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 261952-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 1 In Stock Shenzhen Inquiry
0.25g ≥98% 1 In Stock Hong Kong Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry

261952-20-9 / 1-bromo-4-methyl-2-(trifluoromethyl)benzene

Standard CAS: 261952-20-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261952-20-9
Multi CAS
No
Molecular Formula
C8H6BrF3
Molecular Weight
239.030000
Exact Mass
237.960500
SMILES
CC1=CC(=C(C=C1)Br)C(F)(F)F
InChI
InChI=1S/C8H6BrF3/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
InChIKey
WXXDBPIOFOYRLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
Molar refractivity
43.88
TPSA
0.0000

LogP / Solubility

WLOGP
3.78
MLOGP
3.33
XLogP3
3.9
Consensus LogP
3.67
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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)
-1.5

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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