CAS RN: 116632-23-6
3-bromo-5-nitrophenol
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250413 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-016570
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, 0.25g, 100g
- Available purity: >95%
- Inventory rows with stock: 6
- 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 | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
| 10g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Beijing | Inquiry |
| 100g | >95% | 1 In Stock | Shanghai | Inquiry |
116632-23-6 / 3-bromo-5-nitrophenol
3-bromo-5-nitrophenol | DTXSID90440759 | RefChem:277622
Basic Information
CAS
116632-23-6
Multi CAS
No
Molecular Formula
C6H4BrNO3
Molecular Weight
218.000000
Exact Mass
216.937460
SMILES
C1=C(C=C(C=C1O)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H4BrNO3/c7-4-1-5(8(10)11)3-6(9)2-4/h1-3,9H
InChIKey
VJQGLUHOAIZTNK-UHFFFAOYSA-N
Synonyms
3-bromo-5-nitrophenol
DTXSID90440759
RefChem:277622
DTXCID00391581
812-840-2
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.46
TPSA
63.37
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
3.2
Consensus LogP
2.36
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.59
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)
Corrosive
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
