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CAS 100-15-2 N-Methyl-4-nitroaniline molecular structure lightbox
CAS RN: 100-15-2

N-Methyl-4-nitroaniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250816 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
  • Product code: SSC-000005
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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: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 100-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
100g >97% 5 In Stock Beijing Inquiry
500g >97% 2 In Stock Shanghai Inquiry
1000g >97% 1 In Stock Hong Kong Inquiry

100-15-2 / N-methyl-4-nitroaniline

N-Methyl-4-nitroaniline | 100-15-2 | Benzenamine, N-methyl-4-nitro-

Standard CAS: 100-15-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
100-15-2
Multi CAS
Yes
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
SMILES
CNC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
InChIKey
XIFJZJPMHNUGRA-UHFFFAOYSA-N
Synonyms
N-Methyl-4-nitroaniline 100-15-2 Benzenamine, N-methyl-4-nitro- N-Methyl-p-nitroaniline 4-Nitro-N-methylaniline

Physical Properties

Melting Point
306 °F (NTP, 1992)
Boiling Point
Decomposes (NTP, 1992)
Density
1.201 at 311 °F (NTP, 1992) - Denser than water; will sink
Physical Description
N-methyl-4-nitroaniline appears as brownish-yellow prisms with violet reflex (from ethanol) or yellow powder. (NTP, 1992) Brownish-yellow or yellow solid; [CAMEO] Yellow crystalline powder
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
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.64
TPSA
55.17

LogP / Solubility

WLOGP
1.64
MLOGP
1.43
XLogP3
2
Consensus LogP
1.69
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.25
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)
-2.49

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H373 (98.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412 (17.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501

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