Methyl 4-methoxy-3-nitrobenzoate
Basic information
- CAS
40757-20-8- Standard SMILES
COC(=O)c1ccc(OC)c([N+](=O)[O-])c1- InChIKey
ZUZYMTBOKNSYEB-UHFFFAOYSA-N- Molecular formula
- C9H9NO5
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.04807239
Names & identifiers
- Preferred name
- Methyl 4-methoxy-3-nitrobenzoate
- IUPAC
- methyl 4-methoxy-3-nitrobenzoate
- English name
- Methyl 4-methoxy-3-nitrobenzoate
- Molecular formula
- C9H9NO5
- Molecular weight
- 211.17
Names & synonyms
Methyl 4-methoxy-3-nitrobenzoate40757-20-8DTXSID20345147Benzoic acid, 4-methoxy-5-nitro-, methyl esterRefChem:157628DTXCID20296221684-359-4ZUZYMTBOKNSYEB-UHFFFAOYSA-NMFCD000242134-Methoxy-3-nitrobenzoic Acid Methyl EsterBenzoic acid, 4-methoxy-3-nitro-, methyl ester4-Methoxy-3-nitro-benzoic acid methyl ester
Show more names
RARECHEM AL BF 0361Methyl 4-methoxy-3-nitrobenzoate, 97%,3-Nitro-4-methoxybenzoic acid methyl esterMethyl 3-nitro-p-anisate, 4-(Methoxycarbonyl)-2-nitroanisole
Methyl 3-Nitro-p-anisateSCHEMBL7566531SCHEMBL30445111methyl 3-nitro-4-methoxybenzoatemethyl 4-methoxy-3-nitro-benzoateALBB-0239073-Nitro-p-anisic Acid Methyl EsterSBB071790
Database identifiers
- CAS
40757-20-8- PubChem CID
- 602104
- DTXSID
DTXSID20345147- EC Number
- 684-359-4
- Nikkaji
- J62.057B
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 108 · 108-110
- Boiling point
- 350.7 · 350.7±22.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- powder to crystal
- color
- White to Yellow to Green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Safety Statements
- 22 · 22-24/25
- Hazard Note
- Irritant
- HS Code
- 2918.99 · 2918.99.4700
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2918.99.4700
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
2 records
Compound notes
Loading…