4-Amino-7-nitrobenzofurazan
Basic information
- CAS
10199-91-4- Standard SMILES
Nc1ccc([N+](=O)[O-])c2nonc12- InChIKey
YXKOGLINWAPXPE-UHFFFAOYSA-N- Molecular formula
- C6H4N4O3
- Average molar mass
- 180.12 g/mol
- Monoisotopic mass
- 180.02833999
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Amino-7-nitrobenzofurazan
- IUPAC
- 4-nitro-2,1,3-benzoxadiazol-7-amine
- English name
- 4-Amino-7-nitro-2,1,3-benzoxadiazole
- Molecular formula
- C6H4N4O3
- Molecular weight
- 180.12
Names & synonyms
4-Amino-7-nitrobenzofurazanDTXSID80345103RefChem:97809DTXCID9029617710199-91-4NBD-amine7-nitro-2,1,3-benzoxadiazol-4-amine7-nitrobenzo[c][1,2,5]oxadiazol-4-amine4-nitro-2,1,3-benzoxadiazol-7-amine4-amino-7-nitro-2,1,3-benzoxadiazole4-Amino-7-nitrobenzofurazaneMFCD00168449
Show more names
TIMTEC-BB SBB001500Ethopabate Impurity 82,1,3-Benzoxadiazol-4-amine, 7-nitro-
7-nitrobenzo[c]1,2,5-oxadiazole-4-ylamine7-Nitro-4-aminobenzofurazan4-Nitrobenzofurazane-7-amine7-Nitro-2,1,3-benzoxadiazole-4-amine4-Nitro-2,1,3-benzooxadiazole-7-amineAURORA KA-525SCHEMBL306168orb1943066
Database identifiers
- CAS
10199-91-4- PubChem CID
- 601894
- DTXSID
DTXSID80345103- EC Number
- 959-863-5
- Nikkaji
- J367.009K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 237 °C · 237 °C
- Boiling point
- 445.6 · 445.6±48.0 °C(Predicted)
- Density
- 1.684 · 1.684±0.06 g/cm3(Predicted)
- form
- Solid
- pka
- -2.37 · -2.37±0.10(Predicted)
- color
- Yellow to brown
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
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
Uses7-Nitro-4-aminobenzofurazan is used as a fast responsive photo-switchable dual-color fluorescent in cyclodextrin nanogels for cancer cell imaging.
Upstream & downstream products
Downstream products
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Related reactions
5 records
Compound notes
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