Methyl-4-nitrophenylcarbonate
Basic information
- CAS
17175-16-5- Standard SMILES
COC(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
BKNCSPZEGXUNTP-UHFFFAOYSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
- Monoisotopic mass
- 197.03242232
Overview
structure
Names & identifiers
- Preferred name
- Methyl-4-nitrophenylcarbonate
- IUPAC
- methyl (4-nitrophenyl) carbonate
- English name
- methyl-4-nitrophenylcarbonate
- Molecular formula
- C8H7NO5
- Molecular weight
- 197.15
Names & synonyms
17175-16-5Methyl-4-nitrophenylcarbonateCarbonic acid, methyl 4-nitrophenyl esterRefChem:925756methyl (4-nitrophenyl) carbonateMethyl p-nitrophenyl carbonateMethyl 4-nitrophenyl carbonateMFCD30599420Carbonic acid methyl p-nitrophenyl esterCarbonic acid methyl 4-nitrophenyl esterCarbonic acid methyl=4-nitrophenyl esterSCHEMBL84030
Show more names
CHEMBL320849SCHEMBL15546810DTXSID40938035AS-93310Carbonic acid methyl(p-nitrophenyl) esterCarbonic acid, methyl p-nitrophenyl esterSY359943F71495
Database identifiers
- CAS
17175-16-5- PubChem CID
- 86975
- DTXSID
DTXSID40938035- ChEMBL
CHEMBL320849- Nikkaji
- J117.411H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 322.7 · 322.7±34.0 °C(Predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Light brown to gray Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Suppliers
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Related reactions
1 records
Compound notes
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