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CAS 351003-47-9 4-BROMO-3-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 351003-47-9

4-BROMO-3-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260208 1g / 5g / 25g / 100g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: SSC-141873
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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: ≥97%
  • 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 351003-47-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

351003-47-9 / 4-bromo-3-(trifluoromethyl)benzenesulfonyl chloride

Standard CAS: 351003-47-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
351003-47-9
Multi CAS
Yes
Molecular Formula
C7H3BRCLF3O2S
Molecular Weight
323.520000
Exact Mass
321.867780
InChI
InChI=1S/C7H3BrClF3O2S/c8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12/h1-3H
InChIKey
QCFIMBHKZZLZAE-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
4.1
Consensus LogP
3.5
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

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