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CAS 15873-51-5 4-Nitroaniline Hydrochloride molecular structure lightbox
CAS RN: 15873-51-5

4-Nitroaniline Hydrochloride

  • Product code: SSC-066966
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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: 25g
  • 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 15873-51-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

15873-51-5 / 4-nitroaniline;hydrochloride

Standard CAS: 15873-51-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15873-51-5
Multi CAS
No
Molecular Formula
C6H7ClN2O2
Molecular Weight
174.580000
Exact Mass
174.019605
SMILES
C1=CC(=CC=C1N)[N+](=O)[O-].Cl
InChI
InChI=1S/C6H6N2O2.ClH/c7-5-1-3-6(4-2-5)8(9)10;/h1-4H,7H2;1H
InChIKey
LNJUVOPKIUQOQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.76
TPSA
69.16

LogP / Solubility

WLOGP
1.6
MLOGP
1.4
XLogP3
1.6
Consensus LogP
1.53
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.65

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H370 (100%): Causes damage to organs [Danger Specific target organ toxicity, single exposure] H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P264, P270, P273, P280, P301+P317, P308+P316, P318, P319, P321, P330, P405, and P501

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