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CAS 13432-81-0 3,5-DICHLORO-4-HYDROXYBENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 13432-81-0

3,5-DICHLORO-4-HYDROXYBENZENESULFONYL CHLORIDE

  • Product code: SSC-041910
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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: 1g
  • 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 13432-81-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

13432-81-0 / 3,5-dichloro-4-hydroxybenzenesulfonyl chloride

Standard CAS: 13432-81-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13432-81-0
Multi CAS
No
Molecular Formula
C6H3Cl3O3S
Molecular Weight
261.500000
Exact Mass
259.886848
SMILES
C1=C(C=C(C(=C1Cl)O)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H3Cl3O3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H
InChIKey
AELFLPJWVRGXKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.17
TPSA
54.37

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
3.1
Consensus LogP
2.68
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.45

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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