2-Chloro-4-nitrobenzoic acid

CAS NO.：99-60-5
Empirical Formula: C7H4ClNO4
Molecular Weight: 201.56
MDL number: MFCD00007209
EINECS: 202-771-0
SAFETY DATA SHEET (SDS)
Update Date: 2024-08-21 22:41:43

What is 2-Chloro-4-nitrobenzoic acid?

Chemical properties

light yellow to light green crystalline powder

The Uses of 2-Chloro-4-nitrobenzoic acid

The active pharmaceutical ingredient 2-chloro-4-nitrobenzoic acid (2c4n) is a potentially novel therapy for immunodeficiency diseases as an anti-viral and anti-cancer agent and is a dimorph in the solid state. 2c4n is a historically significant compound from a polymorphic point of view, as it was one of the samples used by Ebert and Gottlieb to show that polymorphs can be identified or differentiated through their IR spectra back in 1952[1].

References

[1] Andreas Lemmerer, Joel Bernstein, Catharine Esterhuysen. “Synthesis, characterization, and molecular modeling of a pharmaceutical co-crystal: (2-chloro-4-nitrobenzoic acid):(nicotinamide)?.” Journal of pharmaceutical sciences 99 9 (2010): 4054–4071.

Properties of 2-Chloro-4-nitrobenzoic acid

Melting point:	136-140 °C(lit.)
Boiling point:	160.5°C (rough estimate)
Density	1.5719 (rough estimate)
refractive index	1.6000 (estimate)
storage temp.	Sealed in dry,Room Temperature
form	Crystalline Powder
pka	pK1: 1.96 (25°C)
color	Light yellow to light green
Water Solubility	1 g/L (20 ºC)
BRN	1912836
InChI	InChI=1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
CAS DataBase Reference	99-60-5(CAS DataBase Reference)
EPA Substance Registry System	Benzoic acid, 2-chloro-4-nitro- (99-60-5)

Safety information for 2-Chloro-4-nitrobenzoic acid

Signal word	Danger
Pictogram(s)	Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H318:Serious eye damage/eye 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. 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.