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Basic information
- CAS
13411-16-0- Standard SMILES
O=[N+]([O-])c1ccc(C=Cc2cccc(CO)n2)o1- InChIKey
JQKHJQJVKRFMCO-UHFFFAOYSA-N- Molecular formula
- C12H10N2O4
- Average molar mass
- 246.22 g/mol
- Monoisotopic mass
- 246.0640568
Names & identifiers
- Preferred name
- Furanace
- IUPAC
- [6-[2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol
- English name
- NIFURPIRINOL
- Molecular formula
- C12H10N2O4
- Molecular weight
- 246.22
Names & synonyms
FuranaceDTXSID1040291RefChem:921919DTXCID40809993SCHEMBL1485406-hydroxymethyl-2(2-(5-nitro-2-furyl)vinyl)pyridine{6-[2-(5-Nitrofuran-2-yl)ethen-1-yl]pyridin-2-yl}methanolnf323P-7138furpyrinolfurpirinolfuranace-10
Show more names
NifurpirinolNifurpirinol Furpirinol6-(2-(5-nitro-2-furyl)vinyl)-2-pyridinemethano6-(2-(5-nitro-2-furyl)vinyl)-2-pyridinemethanol
Database identifiers
- CAS
13411-16-0- PubChem CID
- 66367
- DTXSID
DTXSID1040291
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 170 · 170-171°
- Boiling point
- 389.22 °C · 389.22°C (rough estimate)
- Density
- 1.3087 · 1.3087 (rough estimate)
- refractive index
- 1.666 · 1.6660 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20.83 mg/mL · DMSO : ≥ 20.83 mg/mL (84.60 mM)
- pka
- 13.19 · 13.19±0.10(Predicted)
- form
- Solid
- color
- Yellow to brown
- BRN
- 1216943 · 1216943
- FDA UNII
- 7 O5A98XY8U · 7O5A98XY8U
- EPA Substance Registry System
- Nifurpirinol (13411-16-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
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
- UT5023000
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Applications
UsesAntibacterial.
Suppliers25 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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