1-(2-Nitrophenyl)-1,2-ethanediol

Inquiry

Molecular Formula:

C8H9NO4

Molecular Weight:

183.16

CAS Number:

51673-59-7

Catalog Number:

51673-59-7

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

183.05315777 g/mol

Monoisotopic Mass

183.05315777 g/mol

Topological Polar Surface Area

86.3Å²

Heavy Atom Count

Formal Charge

Complexity

180

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

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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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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