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CAS 176225-09-5 4-Fluoro-2-(trifluoromethyl)benzenesulfonyl Chloride molecular structure lightbox
CAS RN: 176225-09-5

4-Fluoro-2-(trifluoromethyl)benzenesulfonyl Chloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251009 1g In stock Inquiry
Batchno.20260319 250mg In stock Inquiry
Batchno.20250529 25g In stock Inquiry
Batchno.20250201 5g In stock Inquiry
  • Product code: SSC-077218
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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: 5g
  • 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 176225-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

176225-09-5 / 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride

Standard CAS: 176225-09-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
176225-09-5
Multi CAS
No
Molecular Formula
C7H3ClF4O2S
Molecular Weight
262.610000
Exact Mass
261.947841
SMILES
C1=CC(=C(C=C1F)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H3ClF4O2S/c8-15(13,14)6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
InChIKey
IGMYEVQPXWKFQF-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
44.44
TPSA
34.14

LogP / Solubility

WLOGP
2.77
MLOGP
2.45
XLogP3
2.9
Consensus LogP
2.71
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-2.35

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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