5-(3-Nitrophenyl)-2-furanmethanol
Basic information
- CAS
40105-91-7- Standard SMILES
O=[N+]([O-])c1cccc(-c2ccc(CO)o2)c1- InChIKey
FYHBDKDVWMCYFS-UHFFFAOYSA-N- Molecular formula
- C11H9NO4
- Average molar mass
- 219.19 g/mol
- Monoisotopic mass
- 219.05315777
Names & identifiers
- Preferred name
- 5-(3-Nitrophenyl)-2-furanmethanol
- IUPAC
- [5-(3-nitrophenyl)furan-2-yl]methanol
- English name
- [5-(3-Nitro-phenyl)-furan-2-yl]-methanol
- Molecular formula
- C11H9NO4
- Molecular weight
- 219.19
Names & synonyms
40105-91-75-(3-Nitrophenyl)-2-furanmethanolRefChem:299732[5-(3-nitrophenyl)furan-2-yl]methanol(5-(3-nitrophenyl)furan-2-yl)methanol[5-(3-nitrophenyl)-2-furyl]methanolCBMicro_004089DTXSID701299314SMSF0011104BBL012046MFCD01932709STK008285
Show more names
AKOS BB-8337ASISCHEM T31186TIMTEC-BB SBB009795RARECHEM AL BD 0713ART-CHEM-BB B0253502-Furanmethanol, 5-(3-nitrophenyl)-(5-(3-NITROPHENYL)-2-FURYL)METHANOL[5-(3-Nitro-phenyl)-furan-2-yl]-methanol
AKOS000108186CB05933ST012541VS-03180[5-(3-nitrophenyl)-2-furyl]methan-1-olBIM-0003847.P001CS-0317882SR-01000427685
Database identifiers
- CAS
40105-91-7- PubChem CID
- 720971
- DTXSID
DTXSID701299314- EC Number
- 657-433-9
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 383.7 · 383.7±37.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 13.84 · 13.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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