CAS RN: 121-92-6
3-Nitrobenzoic Acid
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251201 | 25g | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250715 | 25g / 100g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | 5-7 business days | Inquiry |
- Product code: SSC-022356
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: 25g, 100g, 500g, 1000g
- Available purity: ≥99%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥99% | 5 In Stock | Hong Kong | Inquiry |
| 100g | -- | 5 In Stock | Beijing | Inquiry |
| 100g | ≥99% | 5 In Stock | Shenzhen | Inquiry |
| 500g | -- | 3 In Stock | Beijing | Inquiry |
| 500g | ≥99% | 3 In Stock | Shanghai | Inquiry |
| 1000g | -- | 1 In Stock | Beijing | Inquiry |
| 1000g | ≥99% | 1 In Stock | Beijing | Inquiry |
121-92-6 / 3-nitrobenzoic acid
3-NITROBENZOIC ACID | m-Nitrobenzoic acid | Benzoic acid, 3-nitro-
Basic Information
CAS
121-92-6
Multi CAS
Yes
Molecular Formula
C7H5NO4
Molecular Weight
167.120000
Exact Mass
167.021858
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
InChIKey
AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Synonyms
3-NITROBENZOIC ACID
m-Nitrobenzoic acid
Benzoic acid, 3-nitro-
Benzoic acid, m-nitro-
m-Nitrobenzenecarboxylic acid
Physical Properties
Melting Point
284 to 288 °F (NTP, 1992)
140-141 °C
Density
1.494 at 68 °F (NTP, 1992) - Denser than water; will sink
1.494
Physical Description
M-nitrobenzoic acid appears as off white to yellowish-white crystals. Bitter taste. Melts in hot water. (NTP, 1992)
Yellowish-white solid; [Hawley] Light yellow or off-white powder
Appearance
Monoclinic leaflets or prisms
Yellowish white crystals
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.06
TPSA
80.44
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
1.8
Consensus LogP
1.41
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82
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
Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (78%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (43.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (70.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H412 (40.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
P203, P280, P318, P405, and P501
