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CAS 207226-31-1 1,3-Dibromo-5-(trifluoromethoxy)benzene molecular structure lightbox
CAS RN: 207226-31-1

1,3-Dibromo-5-(trifluoromethoxy)benzene

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260424 100g In stock Inquiry
Batchno.20250418 1g In stock Inquiry
Batchno.20250209 25g In stock Inquiry
Batchno.20250818 500g Out of stock Inquiry
Batchno.20250826 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-097579
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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: 100g
  • Available purity: ≥95%
  • 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 207226-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

207226-31-1 / 1,3-dibromo-5-(trifluoromethoxy)benzene

Standard CAS: 207226-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207226-31-1
Multi CAS
No
Molecular Formula
C7H3Br2F3O
Molecular Weight
319.900000
Exact Mass
319.848220
SMILES
C1=C(C=C(C=C1Br)Br)OC(F)(F)F
InChI
InChI=1S/C7H3Br2F3O/c8-4-1-5(9)3-6(2-4)13-7(10,11)12/h1-3H
InChIKey
UKHOUWWEEAOCTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.53
TPSA
9.23

LogP / Solubility

WLOGP
4.11
MLOGP
3.63
XLogP3
4.5
Consensus LogP
4.08
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75

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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