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CAS 431-35-6 1-Bromo-3,3,3-trifluoroacetone molecular structure lightbox
CAS RN: 431-35-6

1-Bromo-3,3,3-trifluoroacetone

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250525 25g In stock Shanghai Inquiry
Batchno.20251013 5g In stock Shandong Inquiry
  • Product code: SSC-151386
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 431-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Shenzhen Inquiry
25g >95% 5 In Stock Beijing Inquiry
100g >95% 5 In Stock Beijing Inquiry
500g >95% 5 In Stock Shanghai Inquiry

431-35-6 / 3-bromo-1,1,1-trifluoropropan-2-one

Standard CAS: 431-35-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
431-35-6
Multi CAS
Yes
Molecular Formula
BC3H2ORf3
Molecular Weight
190.950000
Exact Mass
189.924110
InChI
InChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
InChIKey
ONZQYZKCUHFORE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
24.86
TPSA
17.07

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.9
Consensus LogP
1.58
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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