CAS RN: 20357-21-5
2-Bromo-6-nitrobenzaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260210 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-095827
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, 0.25g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 10
- 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 | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 4 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 25g | -- | 3 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 100g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
20357-21-5 / 2-bromo-6-nitrobenzaldehyde
Basic Information
CAS
20357-21-5
Multi CAS
No
Molecular Formula
C7H4BrNO3
Molecular Weight
230.020000
Exact Mass
228.937460
SMILES
C1=CC(=C(C(=C1)Br)C=O)[N+](=O)[O-]
InChI
InChI=1S/C7H4BrNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4H
InChIKey
WRIAMYXQKSDDRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.18
TPSA
60.21
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
0.9
Consensus LogP
1.66
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.58
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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