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CAS 176225-10-8 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride molecular structure lightbox
CAS RN: 176225-10-8

4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260225 25g In stock Inquiry
Batchno.20251024 5g Out of stock Inquiry
  • Product code: SSC-077219
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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: 25g
  • 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 176225-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

176225-10-8 / 4-bromo-2-(trifluoromethyl)benzenesulfonyl chloride

Standard CAS: 176225-10-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
176225-10-8
Multi CAS
No
Molecular Formula
C7H3BrClF3O2S
Molecular Weight
323.520000
Exact Mass
321.867780
SMILES
C1=CC(=C(C=C1Br)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H3BrClF3O2S/c8-4-1-2-6(15(9,13)14)5(3-4)7(10,11)12/h1-3H
InChIKey
YFXYEMZYOMNQLD-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]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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