CAS RN: 1009-36-5
2-Chloro-5-nitroanisole
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
- Product code: SSC-001638
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: 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 5g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | >97% | 0 Out of Stock | Shanghai | Inquiry |
1009-36-5 / 1-chloro-2-methoxy-4-nitrobenzene
2-Chloro-5-nitroanisole | 1-chloro-2-methoxy-4-nitrobenzene | 2-Methoxy-4-nitrochlorobenzene
Basic Information
CAS
1009-36-5
Multi CAS
Yes
Molecular Formula
C7H6ClNO3
Molecular Weight
187.580000
Exact Mass
187.003621
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H6ClNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
InChIKey
JXIJUAWSDBACEB-UHFFFAOYSA-N
Synonyms
2-Chloro-5-nitroanisole
1-chloro-2-methoxy-4-nitrobenzene
2-Methoxy-4-nitrochlorobenzene
Benzene, 1-chloro-2-methoxy-4-nitro-
EINECS 213-768-9
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
2.5
Consensus LogP
2.25
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
H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
