Basic information
- Standard SMILES
Cc1cc(=O)[nH]c(N/N=C/c2ccc([N+](=O)[O-])o2)n1- InChIKey
WLKZNODGBBNCRM-UHFFFAOYSA-N- Molecular formula
- C10H9N5O4
- Average molar mass
- 263.21 g/mol
Names & identifiers
- Preferred name
- 5-Nitro-2-furaldehyde (4-hydroxy-6-methylpyrimidin-2-YL)-hydrazone
- IUPAC
- 4-methyl-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
- English name
- 5-Nitro-2-furaldehyde (4-hydroxy-6-methylpyrimidin-2-yl)-hydrazone
- Molecular formula
- C10H9N5O4
- Molecular weight
- 263.21
Names & synonyms
5-Nitro-2-Furaldehyde (4-Hydroxy-6-Methylpyrimidin-2-Yl)-HydrazoneRefChem:537401654-286-213293-13-56-Methyl-2-(2-((5-nitrofuran-2-yl)methylene)hydrazinyl)pyrimidin-4-ol4-methyl-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-oneNSC892846-methyl-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-4-one6-METHYL-2-{2-[(5-NITROFURAN-2-YL)METHYLIDENE]HYDRAZIN-1-YL}PYRIMIDIN-4-OLNSC-892846-methyl-2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-4-one2-Furancarboxaldehyde, 5-nitro-, 2-(1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl)hydrazone
Database identifiers
- CAS
13293-13-5- PubChem CID
- 135527136
- EC Number
- 654-286-2
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Boiling point
- 431.1 · 431.1±55.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 9.32 · 9.32±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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