Acetamide, N-(4-methoxy-2-nitrophenyl)-
Basic information
- CAS
119-81-3- Standard SMILES
COc1ccc(NC(C)=O)c([N+](=O)[O-])c1- InChIKey
QGEGALJODPBPGR-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Names & identifiers
- Preferred name
- Acetamide, N-(4-methoxy-2-nitrophenyl)-
- IUPAC
- N-(4-methoxy-2-nitrophenyl)acetamide
- English name
- 4-Methoxy-2-nitroacetanilide
- Molecular formula
- C9H10N2O4
- Molecular weight
- 210.19
Names & synonyms
119-81-34'-Methoxy-2'-nitroacetanilide2'-Nitro-p-acetanisidideAcetamide, N-(4-methoxy-2-nitrophenyl)-4-Acetamido-3-nitroanisolep-Acetanisidide, 2-nitro-2-Nitro-p-acetanisidideNSC 5516AI3-09014EINECS 204-353-3BRN 28096783-13-00-01208 (Beilstein Handbook Reference)
Show more names
2-nitro-p-acetanisididLABOTEST-BB LT00455134p-Acetaniside, 2'-nitro-4-ACETAMINO-3-NITROANISOLE
DTXSID6059499RefChem:551736DTXCID4033477204-353-3N-(4-Methoxy-2-nitrophenyl)acetamide2-nitro-4-methoxyacetanilidep-Acetanisidide, 2'-nitro-MFCD00017018
Database identifiers
- CAS
119-81-3- PubChem CID
- 67075
- DTXSID
DTXSID6059499- UNII
- F6Y2T3YQX2
- EC Number
- 204-353-3
- Nikkaji
- J154.700C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
LogP1.09
Physicochemical properties
- Melting point
- 117 · 117-118°C
- Boiling point
- 349.7 °C · 349.7°C (rough estimate)
- Density
- 1.3578 · 1.3578 (rough estimate)
- refractive index
- 1.594 · 1.5940 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.24 · 13.24±0.70(Predicted)
- form
- Solid
- color
- Yellow to Dark Yellow
- BRN
- 2809678 · 2809678
- InChI
- InChI=1S/C9H10N2O4/c1-6(12)10-8-4-3-7(15-2)5-9(8)11(13)14/h3-5H,1-2H3,(H,10,12)
- InChIKey
- QGEGALJODPBPGR-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=C(OC)C=C1[N+]([O-])=O)(=O)C
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Safety data
- tsca
- TSCA listed
- rtecs
- AE8310000
- ridadr
- 2811
- hs_code
- 2924190090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- safety_code
- 22-36/37
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310a-P321-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(4-methoxy-2-nitrophenyl)-: INACTIVE
Applications
UsesMethacetin (M258770) derivative. Used in the synthesis of a Thiabendazole (T344150) metabolite.
UsesLike Methacetin (M258770) derivative, N-(4-Methoxy-2-nitrophenyl)acetaMide can be used in the synthesis of a Thiabendazole
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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