4-Nitrobenzeneethanol

Synonym(s):2-(4-Nitrophenyl)ethanol

CAS NO.：100-27-6
Empirical Formula: C8H9NO3
Molecular Weight: 167.16
MDL number: MFCD00010202
EINECS: 202-835-8
SAFETY DATA SHEET (SDS)
Update Date: 2023-12-25 13:23:17

What is 4-Nitrobenzeneethanol?

Chemical properties

yellow to orange crystalline powder

The Uses of 4-Nitrobenzeneethanol

4-Nitro-benzeneethanol is a useful synthetic intermediate. It can be used to synthesize N-phenylethylindole carboxamides as SAR study of allosteric modulators of CB1 receptor. It can also be used to prepare 2-aza-2''-deoxyinosine-containing oligodeoxyribonucleotide duplexes.

Synthesis Reference(s)

The Journal of Organic Chemistry, 38, p. 2786, 1973 DOI: 10.1021/jo00956a011

General Description

Yellow needles (from aqueous methanol) or orange solid.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

A nitrated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

Health Hazard

SYMPTOMS: Structurally similar chemicals may cause methemoglobinemia.

Fire Hazard

Flash point data for 4-Nitrobenzeneethanol are not available; however, 4-Nitrobenzeneethanol is probably combustible.

Properties of 4-Nitrobenzeneethanol

Melting point:	59-62 °C(lit.)
Boiling point:	177 °C16 mm Hg(lit.)
Density	1.2917 (rough estimate)
refractive index	1.5570 (estimate)
storage temp.	Sealed in dry,Room Temperature
solubility	Chloroform, Methanol (Slightly)
form	Solid
pka	14.57±0.10(Predicted)
color	White to Light Brown
Water Solubility	<0.01 g/100 mL at 18 ºC
BRN	1866148
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
CAS DataBase Reference	100-27-6(CAS DataBase Reference)
NIST Chemistry Reference	Benzeneethanol, 4-nitro-(100-27-6)
EPA Substance Registry System	4-Nitrobenzeneethanol (100-27-6)

Safety information for 4-Nitrobenzeneethanol

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H319:Serious eye damage/eye irritation
Precautionary Statement Codes	P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention.