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CAS 10298-80-3 4-Chloro-3-nitroanisole molecular structure lightbox
CAS RN: 10298-80-3

4-Chloro-3-nitroanisole

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 100g In stock Shanghai Inquiry
Batchno.20250612 25g In stock Shanghai, Shandong Inquiry
Batchno.20260512 500g In stock Shandong Inquiry
  • Product code: SSC-004359
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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
  • 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 10298-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 4 In Stock Shenzhen Inquiry
10g ≥98% 2 In Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

10298-80-3 / 1-chloro-4-methoxy-2-nitrobenzene

4-Chloro-3-nitroanisole | 1-Chloro-4-methoxy-2-nitrobenzene | Benzene, 1-chloro-4-methoxy-2-nitro-

Standard CAS: 10298-80-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10298-80-3
Multi CAS
Yes
Molecular Formula
C7H6ClNO3
Molecular Weight
187.580000
Exact Mass
187.003621
SMILES
COC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H6ClNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKey
HISHUMDTGXICEZ-UHFFFAOYSA-N
Synonyms
4-Chloro-3-nitroanisole 1-Chloro-4-methoxy-2-nitrobenzene Benzene, 1-chloro-4-methoxy-2-nitro- RefChem:521371 Benzene, 1-chloro-4-methoxy-2-nitro-(9CI)

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.66
TPSA
52.37

LogP / Solubility

WLOGP
2.26
MLOGP
1.98
XLogP3
2.2
Consensus LogP
2.15
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.26

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.8%): 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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