CAS RN: 104-03-0
4-Nitrophenylacetic Acid
Product Availability
Choose a grade to view its available package options.
11 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260316 | 100g | In stock | Inquiry | ||
| Batchno.20260323 | 1kg | Out of stock | Inquiry | ||
| Batchno.20250123 | 2.5kg | In stock | Inquiry | ||
| Batchno.20260519 | 250g | In stock | Inquiry | ||
| Batchno.20250930 | 25g | In stock | Inquiry | ||
| Batchno.20250323 | 500g | In stock | Inquiry | ||
| Batchno.20251024 | 5g | In stock | Inquiry |
- Product code: SSC-005709
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: 10g, 25g, 100g, 1000g, 500g, 5000g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 10g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 100g | >98% | 5 In Stock | Shanghai | Inquiry |
| 1000g | >98% | 5 In Stock | Beijing | Inquiry |
| 500g | >98% | 2 In Stock | Beijing | Inquiry |
| 5000g | >98% | 2 In Stock | Hong Kong | Inquiry |
104-03-0 / 2-(4-nitrophenyl)acetic acid
4-Nitrophenylacetic acid | 2-(4-NITROPHENYL)ACETIC ACID | p-nitrophenylacetic acid
Basic Information
CAS
104-03-0
Multi CAS
Yes
Molecular Formula
C8H7NO4
Molecular Weight
181.150000
Exact Mass
181.037508
SMILES
C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey
YBADLXQNJCMBKR-UHFFFAOYSA-N
Synonyms
4-Nitrophenylacetic acid
2-(4-NITROPHENYL)ACETIC ACID
p-nitrophenylacetic acid
(4-Nitrophenyl)acetic acid
4-Nitrobenzeneacetic acid
Physical Properties
Physical Description
Pale yellow solid; [Merck Index] Yellow powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.44
TPSA
80.44
LogP / Solubility
WLOGP
1.22
MLOGP
1.07
XLogP3
1.4
Consensus LogP
1.23
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-2.96
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 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (92.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (92.2%): 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
