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CAS 1154-59-2 3,3′,4′,5-TETRACHLOROSALICYLANILIDE molecular structure lightbox
CAS RN: 1154-59-2

3,3′,4′,5-TETRACHLOROSALICYLANILIDE

  • Product code: SSC-015158
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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 1154-59-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1154-59-2 / 3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide

3,3',4',5-Tetrachlorosalicylanilide | TCSA | 3,5-Dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide

Standard CAS: 1154-59-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1154-59-2
Multi CAS
Yes
Molecular Formula
C13H7Cl4NO2
Molecular Weight
351.000000
Exact Mass
350.920139
SMILES
C1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)Cl)Cl)O)Cl)Cl
InChI
InChI=1S/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)
InChIKey
SJQBHPJLLIJASD-UHFFFAOYSA-N
Synonyms
3,3',4',5-Tetrachlorosalicylanilide TCSA 3,5-Dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide Irgasan BS-200 3,5-Dichlorosalicyl-3,4-dichloroanilide

Physical Properties

Melting Point
161 °C
Appearance
Crystalline solid Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
82.54
TPSA
49.33

LogP / Solubility

WLOGP
5.26
MLOGP
4.65
XLogP3
5.9
Consensus LogP
5.27
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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