5-Nitro-2-furfuryl nitrate
Basic information
- CAS
4077-62-7- Standard SMILES
O=[N+]([O-])OCc1ccc([N+](=O)[O-])o1- InChIKey
IZUDEUAXDJRXOA-UHFFFAOYSA-N- Molecular formula
- C5H4N2O6
- Average molar mass
- 188.1 g/mol
- Monoisotopic mass
- 188.00693585
Names & identifiers
- Preferred name
- 5-Nitro-2-furfuryl nitrate
- IUPAC
- (5-nitrofuran-2-yl)methyl nitrate
- English name
- 5-Nitrofurfurylnitrate 97
- Molecular formula
- C5H4N2O6
- Molecular weight
- 188.1
Names & synonyms
4077-62-75-Nitro-2-furfurylnitrate5-Nitro-2-furfuryl nitrate5-NFNDTXSID301937572-Furanmethanol, 5-nitro-, nitrate (ester)RefChem:103257DTXCID70116248(5-nitrofuran-2-yl)methyl nitrate5-NITROFURFURYLNITRATE 975-nitrofurfuryl nitrate5-Nitrofurfurylnitrate, 97%
Show more names
5-Nitrofurfurylnitrate 972-Furanmethanol, 5-nitro-, 2-nitrate
SCHEMBL1134756AKOS015913339
Database identifiers
- CAS
4077-62-7- PubChem CID
- 160730
- DTXSID
DTXSID30193757- EC Number
- 624-467-0
- Nikkaji
- J451.765B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 36 · 36-39 °C(lit.)
- Boiling point
- 330.9 · 330.9±32.0 °C(Predicted)
- Density
- 1.573 · 1.573±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…