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CAS 119-75-5 2-Nitrodiphenylamine molecular structure lightbox
CAS RN: 119-75-5

2-Nitrodiphenylamine

  • Product code: SSC-019250
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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 119-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

119-75-5 / 2-nitro-N-phenylaniline

2-Nitrodiphenylamine | 2-Nitro-N-phenylaniline | Benzenamine, 2-nitro-N-phenyl-

Standard CAS: 119-75-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
119-75-5
Multi CAS
Yes
Molecular Formula
C12H10N2O2
Molecular Weight
214.220000
Exact Mass
214.074228
SMILES
C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
InChIKey
RUKISNQKOIKZGT-UHFFFAOYSA-N
Synonyms
2-Nitrodiphenylamine 2-Nitro-N-phenylaniline Benzenamine, 2-nitro-N-phenyl- o-(Phenylamino)nitrobenzene CCRIS 6075

Physical Properties

Melting Point
167.9 °F (NTP, 1992)
Physical Description
2-nitrodiphenylamine appears as red-brown crystalline powder or reddish-brown solid. (NTP, 1992) Orange solid; [Reference #1] Reddish-brown solid; [CAMEO] Red or orange crystalline solid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.82
TPSA
55.17

LogP / Solubility

WLOGP
3.34
MLOGP
2.94
XLogP3
3.7
Consensus LogP
3.33
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

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

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