Basic information
- CAS
56921-01-8- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(C)s1- InChIKey
QXIFGUCZQLEFBZ-UHFFFAOYSA-N- Molecular formula
- C7H7NO4S
- Average molar mass
- 201.2 g/mol
- Monoisotopic mass
- 201.00957888
Names & identifiers
- Preferred name
- Methyl 5-methyl-4-nitrothiophene-2-carboxylate
- IUPAC
- methyl 5-methyl-4-nitrothiophene-2-carboxylate
- English name
- Methyl 5-Methyl-4-nitrothiophene-2-carboxylate
- Molecular formula
- C7H7NO4S
- Molecular weight
- 201.2
Names & synonyms
methyl 5-methyl-4-nitrothiophene-2-carboxylate56921-01-8MFCD186425532-Thiophenecarboxylic acid, 5-methyl-4-nitro-, methyl esterNSC108993SCHEMBL426359SCHEMBL92181335-methyl-4-nitro-thiophene-2-carboxylic acid methyl esterDTXSID20296382QXIFGUCZQLEFBZ-UHFFFAOYSA-NAKOS000278636AB75847
Show more names
5-Methyl-4-nitro-2-thiophenecarboxylicacidmethylester
NSC 108993NSC-108993BS-32574DA-32286SY166182CS-0153578methyl5-methyl-4-nitrothiophene-2-carboxylateD95098
Database identifiers
- CAS
56921-01-8- PubChem CID
- 268679
- DTXSID
DTXSID20296382
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 79 · 79-80 °C
- Boiling point
- 328.3 · 328.3±37.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow 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 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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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Related reactions
27 records
Compound notes
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