3-(5-Nitro-2-furyl)prop-2-enoic acid
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Basic information
- CAS
6281-23-8- Standard SMILES
O=C(O)C=Cc1ccc([N+](=O)[O-])o1- InChIKey
LWOWNIPZHGWKNR-UHFFFAOYSA-N- Molecular formula
- C7H5NO5
- Average molar mass
- 183.12 g/mol
Names & identifiers
- Preferred name
- 3-(5-Nitro-2-furyl)prop-2-enoic acid
- IUPAC
- 3-(5-nitrofuran-2-yl)prop-2-enoic acid
- English name
- 3-(5-Nitro-2-furyl)acrylic acid
- Molecular formula
- C7H5NO5
- Molecular weight
- 183.12
Names & synonyms
SCHEMBL2862810LWOWNIPZHGWKNR-UHFFFAOYSA-NAKOS016042134SB615913-(5-nitro-2-furyl)prop-2-enoic acidDB-0542965-nfaAKOS B004246RARECHEM BK HD 0012ART-CHEM-BB B004246nitrofurylacrylamidenitrofurylacrylicacid
Show more names
5-nitrofurylacrylicacid5-Nitrofuranacrylicacid5-nitro-2-furanacrylicaci5-nitro-2-furylacrylicacid
Database identifiers
- CAS
6281-23-8- PubChem CID
- 22680
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 238 · 238-240°C
- Boiling point
- 316.77 °C · 316.77°C (rough estimate)
- Density
- 1.6074 · 1.6074 (rough estimate)
- refractive index
- 1.628 · 1.6280 (estimate)
- pka
- 3.95 · 3.95±0.10(Predicted)
- form
- powder to crystal
- color
- Light yellow to Yellow to Orange
- InChI
- 1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)/b4-2+
- InChIKey
- LWOWNIPZHGWKNR-DUXPYHPUSA-N
- SMILES
- OC(=O)\C=C\c1ccc(o1)[N+]([O-])=O
- CAS DataBase Reference
- 6281 · 6281-23-8(CAS DataBase Reference)
- FDA UNII
- 0 VIF286D · AV0VIF286D
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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
- rtecs
- LT8566000
- hs_code
- 2932.19.5100
- risk_code
- 36-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses3-(5-Nitro-2-furyl)acrylic acid is an intermediates of furan propylamine.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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