5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid
Basic information
- CAS
55377-91-8- Standard SMILES
Cc1ccc(-c2ccc(C(=O)O)o2)c([N+](=O)[O-])c1- InChIKey
UNSSRIPGQQOYLI-UHFFFAOYSA-N- Molecular formula
- C12H9NO5
- Average molar mass
- 247.2 g/mol
- Monoisotopic mass
- 247.04807239
Overview
See also: 5-(4-Methyl-2-nitrophenyl)-2-furoic acid (annotation moved to).
Names & identifiers
- Preferred name
- 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid
- IUPAC
- 5-(4-methyl-2-nitrophenyl)furan-2-carboxylic acid
- English name
- 5-(4-Methyl-2-nitro-phenyl)-furan-2-carboxylic acid
- Molecular formula
- C12H9NO5
- Molecular weight
- 247.2
Names & synonyms
5-(4-methyl-2-nitrophenyl)furan-2-carboxylic acid55377-91-85-(4-METHYL-2-NITRO-PHENYL)-FURAN-2-CARBOXYLIC ACID5-(4-methyl-2-nitro-phenyl)furan-2-carboxylic AcidSCHEMBL2637459DTXSID80350858BBL005503MFCD00274246STK199384AKOS000297271AKOS015894353VS-01583
Show more names
5-(4-METHYL-2-NITROPHENYL)-2-FUROIC ACIDAKOS BB-7732ASISCHEM B67432ZERENEX E/50177345-(4-METHYL-2-NITROPHENYL)-2-FUROIC ACI&5-(4-Methyl-2-nitro-phenyl)-furan-2-carboxylic5-(4-METHYL-2-NITROPHENYL)-2-FURANCARBOXYLIC ACID2-Furancarboxylic acid, 5-(4-methyl-2-nitrophenyl)-
CS-0326997ST50319529
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 193 · 193-195 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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