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CAS 195201-10-6 3-Bromo-4-chlorobenzenesulfonyl chloride molecular structure lightbox
CAS RN: 195201-10-6

3-Bromo-4-chlorobenzenesulfonyl chloride

  • Product code: SSC-092074
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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: 0.1g
  • 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 195201-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

195201-10-6 / 3-bromo-4-chlorobenzenesulfonyl chloride

Standard CAS: 195201-10-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
195201-10-6
Multi CAS
No
Molecular Formula
C6H3BrCl2O2S
Molecular Weight
289.960000
Exact Mass
287.841420
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)Br)Cl
InChI
InChI=1S/C6H3BrCl2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H
InChIKey
WAKUMWHMHLMVPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.19
TPSA
34.14

LogP / Solubility

WLOGP
3.03
MLOGP
2.68
XLogP3
3.3
Consensus LogP
3
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.34

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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