Carbamic acid, N-(4-nitrophenyl)-, methyl ester
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Basic information
- CAS
1943-87-9- Standard SMILES
COC(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
DAWCBJXIGOELKF-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- Carbamic acid, N-(4-nitrophenyl)-, methyl ester
- IUPAC
- methyl N-(4-nitrophenyl)carbamate
- English name
- methyl (4-nitrophenyl)carbamate
- Molecular formula
- C8H8N2O4
- Molecular weight
- 196.16
Names & synonyms
Methyl (4-nitrophenyl)carbamate1943-87-9TW2D8ZES4LDTXSID70173053Carbamic acid, N-(4-nitrophenyl)-, methyl esterRefChem:1080957DTXCID0095544217-737-0methyl N-(4-nitrophenyl)carbamatemethyl 4-nitrophenylcarbamateMFCD00024617EINECS 217-737-0
Show more names
4-Nitrophenylcarbamic acid methyl ester
methyl-4-nitrophenylcarbamateSCHEMBL514113SCHEMBL514114Methyl(4-nitrophenyl)carbamateMethyl 4-nitroanilinomethanoateMethyl (p-nitrophenyl)carbamateSCHEMBL8643346methyl N-(4-nitrophenyl)-carbamate
Database identifiers
- CAS
1943-87-9- PubChem CID
- 74752
- DTXSID
DTXSID70173053- UNII
- TW2D8ZES4L
- EC Number
- 217-737-0
- Nikkaji
- J199.757B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP1.98
Physicochemical properties
- Melting point
- 176 · 176-177 °C
- Boiling point
- 333.03 °C · 333.03°C (rough estimate)
- Density
- 1.429 · 1.4290 (rough estimate)
- refractive index
- 1.618 · 1.6180 (estimate)
- pka
- 12.65 · 12.65±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
8 records
Compound notes
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