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CAS 114878-60-3 1-(2-CHLORO-4-NITROPHENYL)-PIPERAZINE molecular structure lightbox
CAS RN: 114878-60-3

1-(2-CHLORO-4-NITROPHENYL)-PIPERAZINE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250408 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260430 25g In stock Tianjin Inquiry
Batchno.20250316 5g In stock Shanghai Inquiry
  • Product code: SSC-014604
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 1g, 0.25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 114878-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

114878-60-3 / 1-(2-chloro-4-nitrophenyl)piperazine

1-(2-chloro-4-nitrophenyl)piperazine | DTXSID00377926 | RefChem:223307

Standard CAS: 114878-60-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114878-60-3
Multi CAS
No
Molecular Formula
C10H12ClN3O2
Molecular Weight
241.670000
Exact Mass
241.061804
SMILES
C1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H12ClN3O2/c11-9-7-8(14(15)16)1-2-10(9)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2
InChIKey
JNUWBYPJOBSXDN-UHFFFAOYSA-N
Synonyms
1-(2-chloro-4-nitrophenyl)piperazine DTXSID00377926 RefChem:223307 DTXCID60328954 1-(2-Chloro-4-nitrophenyl)-piperazine

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.19
TPSA
58.41

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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