[email protected]
CAS 176225-08-4 2-BROMO-5-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 176225-08-4

2-BROMO-5-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250522 1g In stock Inquiry
Batchno.20250403 25g In stock Inquiry
Batchno.20260128 5g In stock Inquiry
  • Product code: SSC-077217
GET A QUOTE
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
  • Available purity: >98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 176225-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >98% 1 In Stock Shanghai Inquiry
5g -- 1 In Stock Shenzhen Inquiry
5g >98% 1 In Stock Shenzhen Inquiry

176225-08-4 / 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride

Standard CAS: 176225-08-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
176225-08-4
Multi CAS
No
Molecular Formula
C7H3BrClF3O2S
Molecular Weight
323.520000
Exact Mass
321.867780
SMILES
C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Br
InChI
InChI=1S/C7H3BrClF3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
InChIKey
CBIFOAHDKKGDAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.18
TPSA
34.14

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
3.5
Consensus LogP
3.3
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-2.28

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (84.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us