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CAS 10114-58-6 Bismarck Brown molecular structure lightbox
CAS RN: 10114-58-6

Bismarck Brown

Product Availability

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6 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250221 100g Out of stock Inquiry
Batchno.20260506 500g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260517 100g In stock Shandong, Hebei Inquiry
Batchno.20250713 2.5kg Out of stock 5-7 business days Inquiry
Batchno.20251116 25g In stock Shandong Inquiry
Batchno.20260413 500g Out of stock 1 business days Inquiry
  • Product code: SSC-001990
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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: 100g
  • 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 10114-58-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

10114-58-6 / 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine;dihydrochloride

1,3-Benzenediamine, 4,4'-[1,3-phenylenebis(2,1-diazenediyl)]bis-, hydrochloride (1:2) | 1,3-Benzenediamine, 4,4'-[1,3-phenylenebis(azo)]bis-, dihydrochloride | 1,3-Bis(2,3-diaminophenylazo)benzene hydrochloride

Standard CAS: 10114-58-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10114-58-6
Multi CAS
Yes
Molecular Formula
C18H20Cl2N8
Molecular Weight
419.300000
Exact Mass
418.118798
SMILES
C1=CC(=CC(=C1)N=NC2=C(C=C(C=C2)N)N)N=NC3=C(C=C(C=C3)N)N.Cl.Cl
InChI
InChI=1S/C18H18N8.2ClH/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;;/h1-10H,19-22H2;2*1H
InChIKey
MCZVRBLCRZWFJH-UHFFFAOYSA-N
Synonyms
1,3-Benzenediamine, 4,4'-[1,3-phenylenebis(2,1-diazenediyl)]bis-, hydrochloride (1:2) 1,3-Benzenediamine, 4,4'-[1,3-phenylenebis(azo)]bis-, dihydrochloride 1,3-Bis(2,3-diaminophenylazo)benzene hydrochloride 1,3-Benzenediamine, 4,4'-(1,3-phenylenebis(azo))bis-, dihydrochloride 1,3-Benzenediamine, 4,4'-(1,3-phenylenebis(2,1-diazenediyl))bis-, hydrochloride (1:2)

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
119.82
TPSA
153.52

LogP / Solubility

WLOGP
5.69
MLOGP
5.03
XLogP3
5.69
Consensus LogP
5.47
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-7.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (58.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (12.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H411 (61.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P391, and P501

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