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CAS 13120-77-9 2-Methoxy-4-nitrotoluene molecular structure lightbox
CAS RN: 13120-77-9

2-Methoxy-4-nitrotoluene

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 25g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250402 25g / 100g / 500g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-037916
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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: 10g, 100g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 13120-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 1 In Stock Shenzhen Inquiry
100g ≥98% 1 In Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

13120-77-9 / 2-methoxy-1-methyl-4-nitrobenzene

Standard CAS: 13120-77-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13120-77-9
Multi CAS
No
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C8H9NO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3
InChIKey
WVQGZNRUEVFXKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.39
TPSA
52.37

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
2.6
Consensus LogP
2.06
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.38

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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