1-(2-Nitrophenyl)-1,2-ethanediol
Product Information
Molecular Formula
C8H9NO4
Molecular Weight
183.16
Description
1-(2-Nitrophenyl)-1,2-ethanediol is an intricate biomedicine compound. Its indispensability emerges from its profound role as a pivotal precursor in synthesizing pharmaceutical agents, meticulously engineered to combat precise maladies including cancer, inflammation, and cardiovascular anomalies.
Synonyms
1-(2-nitrophenyl)ethane-1,2-diol; 51673-59-7; 2-Nitrostyreneglycol; 1-(2-Nitrophenyl)-1,2-ethanediol; AYVFQXVSRJXIDT-UHFFFAOYSA-N; 51962-27-7
IUPAC Name
1-(2-nitrophenyl)ethane-1,2-diol
SMILES
C1=CC=C(C(=C1)C(CO)O)[N+](=O)[O-]
InChI
InChI=1S/C8H9NO4/c10-5-8(11)6-3-1-2-4-7(6)9(12)13/h1-4,8,10-11H,5H2
InChI Key
AYVFQXVSRJXIDT-UHFFFAOYSA-N
Boiling Point
398.7°C at 760 mmHg
Melting Point
96-98°C
Flash Point
Not applicable
Purity
95%
Density
1.41g/cm3
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
XLogP3
0.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
183.05315777 g/mol
Monoisotopic Mass
183.05315777 g/mol
Topological Polar Surface Area
86.3Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
180
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| RU-2765159-C1 | MODIFIED GUIDE RNA WITH CAPABILITY OF INACTIVATING CRISPR/Cas9 GENOME EDITING SYSTEM AND ITS PRODUCTION METHOD | 2020-08-26 |
| US-2020012124-A1 | Accommodating cavity lens shaped with photocleavable insert | 2016-11-11 |
| WO-2018089699-A1 | Accommodating cavity lens shaped with photocleavable insert | 2016-11-11 |
| JP-WO2017191827-A1 | Internally decomposed polyrotaxane and method for synthesizing the same | 2016-05-02 |
| WO-2017191827-A1 | Internally degradable polyrotaxane and synthesis method therefor | 2016-05-02 |
| EP-3156461-A1 | Uv curable inkjet inks | 2015-10-13 |
| EP-3156461-B1 | Uv curable inkjet inks | 2015-10-13 |
| EP-3156462-A1 | Uv curable inkjet inks | 2015-10-13 |
| EP-3156462-B1 | Uv curable inkjet inks | 2015-10-13 |
| EP-3156463-A1 | Uv curable inkjet inks | 2015-10-13 |
