4-Nitrobenzyl alcohol

CAS NO.：619-73-8
Empirical Formula: C7H7NO3
Molecular Weight: 153.14
MDL number: MFCD00007376
EINECS: 210-611-6
SAFETY DATA SHEET (SDS)
Update Date: 2024-10-30 18:52:02

What is 4-Nitrobenzyl alcohol?

Chemical properties

white to light yellow crystal powde

The Uses of 4-Nitrobenzyl alcohol

4-nitrobenzyl alcohol is used as the sole source of carbon and nitrogen to study the pathway for the catabolism of 4-nitrotoluene by Pseudomonas.

The Uses of 4-Nitrobenzyl alcohol

4-Nitrobenzenemethanol is a potential building block in the synthesis of various pharmaceuticals.

Definition

ChEBI: 4-nitrobenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted at the para-position by a nitro group. It has a role as a xenobiotic metabolite. It is a member of benzyl alcohols and a C-nitro compound.

Synthesis Reference(s)

Organic Syntheses, Coll. Vol. 3, p. 652, 1955
The Journal of Organic Chemistry, 55, p. 2968, 1990 DOI: 10.1021/jo00296a078
Tetrahedron Letters, 19, p. 4985, 1978

Purification Methods

Crystallise the alcohol from EtOH and sublime it in vacuo. Purity should be at least 99.5%. Sublimed samples should be stored in the dark over anhydrous CaSO4 (Drierite). If the IR contains OH bands, then the sample should be resublimed before use. [Mohammed & Kosower J Am Chem Soc 93 2709 1979, Beilstein 6 IV 2611.]

Properties of 4-Nitrobenzyl alcohol

Melting point:	92-94 °C(lit.)
Boiling point:	185 °C12 mm Hg(lit.)
Density	1.3585 (rough estimate)
refractive index	1.5030 (estimate)
Flash point:	180 °C
storage temp.	Sealed in dry,Room Temperature
solubility	2g/l
form	Crystalline Powder
pka	13.61±0.10(Predicted)
color	Yellow
Water Solubility	Soluble in water (2 mg/ml at 20°C).
BRN	1424026
Dielectric constant	22.0（20℃）
CAS DataBase Reference	619-73-8(CAS DataBase Reference)
NIST Chemistry Reference	4-NO2-C6H4CH2OH(619-73-8)
EPA Substance Registry System	Benzenemethanol, 4-nitro- (619-73-8)

Safety information for 4-Nitrobenzyl alcohol

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up.