Home > Compound List > Compound details
7147-77-5 molecular structure
click picture or here to close

5-(4-nitrophenyl)furan-2-carbaldehyde

ChemBase ID: 25844
Molecular Formular: C11H7NO4
Molecular Mass: 217.17758
Monoisotopic Mass: 217.03750771
SMILES and InChIs

SMILES:
[N+](=O)(c1ccc(c2oc(cc2)C=O)cc1)[O-]
Canonical SMILES:
O=Cc1ccc(o1)c1ccc(cc1)[N+](=O)[O-]
InChI:
InChI=1S/C11H7NO4/c13-7-10-5-6-11(16-10)8-1-3-9(4-2-8)12(14)15/h1-7H
InChIKey:
RTSOJVJDKNKNFU-UHFFFAOYSA-N

Cite this record

CBID:25844 http://www.chembase.cn/molecule-25844.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-nitrophenyl)furan-2-carbaldehyde
IUPAC Traditional name
5-(4-nitrophenyl)furan-2-carbaldehyde
Synonyms
5-(4-Nitrophenyl)-2-furancarboxaldehyde
5-(4-Nitrophenyl)furfural
5-(4-nitrophenyl)furan-2-carbaldehyde
5-(4-NITROPHENYL)2-FURALDEHYDE
5-(4-Nitrophenyl)-2-furaldehyde
5-(4-Nitrophenyl)furan-2-carboxaldehyde
5-(4-Nitrophenyl)-2-furaldehyde
5-(4-Nitrophenyl)furfuraldehyde
5-(p-Nitrophenyl)-2-furaldehyde
5-(p-Nitrophenyl)-2-furancarboxaldehyde
5-(p-Nitrophenyl)furfural
NSC 31431
5-(4-Nitrophenyl)furfural
5-(4-硝基苯)-2-呋喃甲醛
5-(4-硝基苯)糠醛
CAS Number
7147-77-5
EC Number
230-459-4
MDL Number
MFCD00124191
PubChem SID
160989151
24866496
PubChem CID
81567

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2532055  LogD (pH = 7.4) 2.2532055 
Log P 2.2532055  Molar Refractivity 57.3713 cm3
Polarizability 21.918705 Å3 Polar Surface Area 76.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSo expand Show data source
Ethyl Acetate expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
203-205°C expand Show data source
204-206 °C(lit.) expand Show data source
Storage Condition
-20°C Freezer, Under Inert Atmosphere expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C11H7NO4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05221443 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 428523 external link
Packaging
1, 5 g in glass bottle
Toronto Research Chemicals - N503535 external link
A furfural nitrophenyl derivative as antibacterial and fungistatic agent.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Ellis, K.O., et al.: J. Med. Chem., 21, 127 (1977)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle