[email protected]
CAS 129112-25-0 2-Bromophenyl Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 129112-25-0

2-Bromophenyl Trifluoromethanesulfonate

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 1g In stock Inquiry
Batchno.20260502 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250207 1g Out of stock Inquiry
Batchno.20250606 250mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251004 25g In stock Shanghai Inquiry
Batchno.20250626 5g In stock Shenzhen Inquiry
  • Product code: SSC-036295
GET A QUOTE
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: 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 129112-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

129112-25-0 / (2-bromophenyl) trifluoromethanesulfonate

Standard CAS: 129112-25-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
129112-25-0
Multi CAS
No
Molecular Formula
C7H4BrF3O3S
Molecular Weight
305.070000
Exact Mass
303.901660
SMILES
C1=CC=C(C(=C1)OS(=O)(=O)C(F)(F)F)Br
InChI
InChI=1S/C7H4BrF3O3S/c8-5-3-1-2-4-6(5)14-15(12,13)7(9,10)11/h1-4H
InChIKey
ZTVGDMVHUBPFGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
49.74
TPSA
43.37

LogP / Solubility

WLOGP
2.68
MLOGP
2.37
XLogP3
3.4
Consensus LogP
2.82
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Customers Also Viewed

Get In Touch

Contact Us