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CAS 431-67-4 3,3-Dibromo-1,1,1-trifluoroacetone molecular structure lightbox
CAS RN: 431-67-4

3,3-Dibromo-1,1,1-trifluoroacetone

Product Availability

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260416 5g / 25g / 100g / 500g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251013 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250324 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-151392
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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: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 431-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
25g ≥95% 5 In Stock Shenzhen Inquiry
100g ≥95% 5 In Stock Shanghai Inquiry
500g ≥95% 3 In Stock Shenzhen Inquiry
1000g ≥95% 0 Out of Stock Beijing Inquiry

431-67-4 / 3,3-dibromo-1,1,1-trifluoropropan-2-one

Standard CAS: 431-67-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
431-67-4
Multi CAS
No
Molecular Formula
C3HBR2F3O
Molecular Weight
269.840000
Exact Mass
269.832570
InChI
InChI=1S/C3HBr2F3O/c4-2(5)1(9)3(6,7)8/h2H
InChIKey
HEPPAPZASXFWTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
32.7
TPSA
17.07

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.7
Consensus LogP
2.3
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

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