2-Methoxy-5-nitrophenyl acetate
Basic information
- CAS
53606-41-0- Standard SMILES
COc1ccc([N+](=O)[O-])cc1OC(C)=O- InChIKey
XBFBLYSAWSLPRY-UHFFFAOYSA-N- Molecular formula
- C9H9NO5
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.04807239
Names & identifiers
- Preferred name
- 2-Methoxy-5-nitrophenyl acetate
- IUPAC
- (2-methoxy-5-nitrophenyl) acetate
- English name
- 2-methoxy-5-nitrophenyl acetate
- Molecular formula
- C9H9NO5
- Molecular weight
- 211.17
Names & synonyms
2-methoxy-5-nitrophenyl acetatePhenol, 2-methoxy-5-nitro-, 1-acetateRefChem:474464811-460-453606-41-02-METHOXY-5-NITROPHENOL ACETATE(2-methoxy-5-nitrophenyl) acetate5-Nitroguaiacol acetateMFCD308344144-nitroanisole acetate2TTB78PEL22-methoxy-5-nitrophenylacetate
Show more names
SCHEMBL8977448DTXSID802018512-Methoxy-5-nitrophenol, acetateXBFBLYSAWSLPRY-UHFFFAOYSA-N(2-methoxy-5-nitro-phenyl) acetateI82901Phenol, 2-methoxy-5-nitro-, acetate (ester)
Database identifiers
- CAS
53606-41-0- PubChem CID
- 40827
- DTXSID
DTXSID80201851- UNII
- 2TTB78PEL2
- EC Number
- 811-460-4
- Nikkaji
- J1.617.777F
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
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 104 · 104-105 °C
- Boiling point
- 304.5 ℃ · 304.5℃ at 101.325kPa
- Density
- 1.367 at · 1.367 at 20℃
- vapor pressure
- 0.14 Pa · 0.14Pa at 20℃
- form
- Powder
- LogP
- 1.487 at · 1.487 at 25℃ and pH6.72
- FDA UNII
- 2 TTB78PEL2 · 2TTB78PEL2
- Symbol(GHS)
- 3 · GHS03,GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H272
- Precautionary statements
- 210 · P210-P220-P221P280-P370+P378-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- REACH Registrations
- Active
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
H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
P210, P220, P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P370+P378, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 2-methoxy-5-nitrophenyl acetate (EC: 811-460-4)
Hazard Classes and CategoriesOx. Sol. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS03,GHS07
- Hazard statements
- H317-H272
- REACH Registrations
- Active
- Precautionary statements
- P210-P220-P221P280-P370+P378-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesThis compound is used for promoting growth of plants.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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