(3'-Nitro[1,1'-biphenyl]-4-yl)methanol
Basic information
- CAS
880158-11-2- Standard SMILES
O=[N+]([O-])c1cccc(-c2ccc(CO)cc2)c1- InChIKey
FDGVRKDIAKLYNZ-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- (3'-Nitro[1,1'-biphenyl]-4-yl)methanol
- IUPAC
- [4-(3-nitrophenyl)phenyl]methanol
- English name
- 4-(3-Nitrophenyl)benzyl alcohol
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
880158-11-2(3'-nitro[1,1'-biphenyl]-4-yl)methanol(3'-Nitro-[1,1'-biphenyl]-4-yl)methanol(3'-Nitro-1,1'-biphenyl-4-yl)methanol[1,1'-Biphenyl]-4-methanol,3'-nitro-[4-(3-nitrophenyl)phenyl]methanolMFCD06803033{3'-nitro-[1,1'-biphenyl]-4-yl}methanolSCHEMBL25690054-(3-Nitrophenylbenzyl alcoholDTXSID60629599(3'-Nitrobiphenyl-4-yl)methanol
Show more names
[1,1'-Biphenyl]-4-methanol, 3'-nitro-
FDGVRKDIAKLYNZ-UHFFFAOYSA-NSBB097435AKOS004116901AB87182CC-0703[4-(3-nitrophenyl)phenyl]methan-1-ol4-(3-NITROPHENYL)BENZYL ALCOHOLDB-366789
Database identifiers
- CAS
880158-11-2- PubChem CID
- 23005013
- DTXSID
DTXSID60629599- Nikkaji
- J2.335.672D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
2 records
Compound notes
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