2-((4-Nitrophenyl)amino)-2-oxoacetic acid
Basic information
- CAS
103-94-6- Standard SMILES
O=C(O)C(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
ZEJKSYPGUAUQKW-UHFFFAOYSA-N- Molecular formula
- C8H6N2O5
- Average molar mass
- 210.14 g/mol
- Monoisotopic mass
- 210.0276713
Overview
inhibitor of lysosomal neuraminidase
Names & identifiers
- Preferred name
- 2-((4-Nitrophenyl)amino)-2-oxoacetic acid
- IUPAC
- 2-(4-nitroanilino)-2-oxoacetic acid
- English name
- 4-Nitrophenyloxamic acid
- Molecular formula
- C8H6N2O5
- Molecular weight
- 210.14
Names & synonyms
4-Nitrophenyloxamic acid103-94-62-((4-Nitrophenyl)amino)-2-oxoacetic acidOXANILIC ACID, 4'-NITRO-Kyselina N-(4-nitrofenyl)oxamovaP-nitrophenyloxamic acidRefChem:5062262-(4-nitroanilino)-2-oxoacetic acidOxalyl-p-nitroaniline4'-Nitrooxanilic acidN-(4-Nitrophenyl)oxamic acid((4-Nitrophenyl)amino)oxoacetic acid
Show more names
pNPOPDXPOHEL-S-3024’-nitrooxanilicacid4’-nitro-oxanilicaciNITROPHENYLOXAMIC ACIDPara-nitro-phenyloxamic acidN-(p-Nitrophenyl)oxamic acid
MFCD00014709[(4-nitrophenyl)carbamoyl]formic acidAcetic acid, [(4-nitrophenyl)amino]oxo-D7SP5WLZ3PAcetic acid, ((4-nitrophenyl)amino)oxo-(4-nitroanilino)(oxo)acetic acidNSC-57783Acetic acid, 2-((4-nitrophenyl)amino)-2-oxo-
Database identifiers
- CAS
103-94-6- PubChem CID
- 7686
- DTXSID
DTXSID6059285- UNII
- D7SP5WLZ3P
- EC Number
- 203-160-1
- Nikkaji
- J182.171G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 204 · 204-205°C
- Boiling point
- 349.65 °C · 349.65°C (rough estimate)
- Density
- 1.5542 · 1.5542 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 1.55 · 1.55±0.25(Predicted)
- BRN
- 2809447 · 2809447
- CAS DataBase Reference
- 103 · 103-94-6(CAS DataBase Reference)
- FDA UNII
- 7 SP5WLZ3P · D7SP5WLZ3P
- EPA Substance Registry System
- Acetic acid, [(4-nitrophenyl)amino]oxo- (103-94-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- tsca
- TSCA listed
- rtecs
- RP3377000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-[(4-nitrophenyl)amino]-2-oxo-: INACTIVE
Applications
Uses4-Nitrophenyloxamic Acid (CAS# 103-94-6) has shown to have inhibitory effects on neuraminidase of Newcastle disease virus Kudu 113 strain.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…