| Identification | More | [Name]
2-Chloro-4-nitrobenzoic acid | [CAS]
99-60-5 | [Synonyms]
2-CHLORO-4-NITROBENZOIC ACID
4-NITRO-2-CHLOROBENZOIC ACID
RARECHEM AL BO 0521
TIMTEC-BB SBB000403
2-chloro-4-nitrobenzoic
2-chloro-4-nitro-benzoicaci
Benzoicacid,2-chloro-4-nitro-
kyselina2-chloro-4-nitrobenzoova
2-Chloro-4-Nitobenzoic Acid
2,4-CNBA
2-Chloride-4-Nitrobenzoic Acid | [EINECS(EC#)]
202-771-0 | [Molecular Formula]
C7H4ClNO4 | [MDL Number]
MFCD00007209 | [Molecular Weight]
201.56 | [MOL File]
99-60-5.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow to light green crystalline powder | [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) | [InChIKey]
QAYNSPOKTRVZRC-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C([N+]([O-])=O)C=C1Cl | [CAS DataBase Reference]
99-60-5(CAS DataBase Reference) | [EPA Substance Registry System]
99-60-5(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
DG5425000
| [TSCA ]
Yes | [HS Code ]
29163900 |
| Hazard Information | Back Directory | [Chemical Properties]
light yellow to light green crystalline powder | [Uses]
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.
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