Basic information
- Standard SMILES
Cc1ccc(-c2ccc(C=O)o2)c([N+](=O)[O-])c1- InChIKey
UAAULAKHYRANRB-UHFFFAOYSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Names & identifiers
- Preferred name
- 5-(4-Methyl-2-nitrophenyl)-2-furaldehyde
- IUPAC
- 5-(4-methyl-2-nitrophenyl)furan-2-carbaldehyde
- English name
- 5-(4-Methyl-2-nitrophenyl)-2-furaldehyde
- Molecular formula
- C12H9NO4
- Molecular weight
- 231.2
Names & synonyms
425645-31-45-(4-methyl-2-nitrophenyl)-2-furaldehyde5-(4-methyl-2-nitrophenyl)furan-2-carbaldehydeMFCD022211685-(4-methyl-2-nitro-phenyl)furan-2-carbaldehyde2-Furancarboxaldehyde, 5-(4-methyl-2-nitrophenyl)-Cambridge id 6259096SCHEMBL2350940SCHEMBL2350945DTXSID80358314ALBB-026835BBL000321
Show more names
TOS-BB-0634ZINC00459585AKOS BB-7943ASISCHEM S94346CHEMBRDG-BB 6259096Reaxys ID: 104326055-(4-methyl-2-nitro-phenyl)furfural5-(4-mentyl-2-nitro-phenyl)-furan-2-carbaldehyde
STK345903AKOS000108102VS-00563DB-050936CS-0314794H43299F0311075-(4-Methyl-2-nitro-phenyl)-furan-2-carbaldehyde
Database identifiers
- CAS
425645-31-4- PubChem CID
- 886646
- DTXSID
DTXSID80358314- Nikkaji
- J2.319.220I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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