| Identification | More | [Name]
2-Chloro-6-nitro-benzoic acid | [CAS]
5344-49-0 | [Synonyms]
2-CHLORO-6-NITROBENZOIC ACID
6-CHLORO-2-NITROBENZOIC ACID
RARECHEM AL BO 0230
6-Chloro-2-Nitro Benzoic Acid 2-Nitro-6-Chloro Benzoic Acid
2-Chloro-6-nitrobenzoic acid 98%
2-NITRO-6-CHLOROBENZOICACID | [EINECS(EC#)]
226-287-4 | [Molecular Formula]
C7H4ClNO4 | [MDL Number]
MFCD00100425 | [Molecular Weight]
201.56 | [MOL File]
5344-49-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
164-166°C | [Boiling point ]
345.7±27.0 °C(Predicted) | [density ]
1.602±0.06 g/cm3(Predicted) | [storage temp. ]
Keep Cold | [form ]
crystalline solid | [pka]
pK1: 1.342 (25°C) | [color ]
Off-white to cream | [BRN ]
2694949 | [InChI]
InChI=1S/C7H4ClNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11) | [InChIKey]
JYHOMEFOTKWQPN-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=C([N+]([O-])=O)C=CC=C1Cl | [CAS DataBase Reference]
5344-49-0(CAS DataBase Reference) |
| 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 | [Hazard Note ]
Irritant/Keep Cold | [HS Code ]
2916399090 |
| Hazard Information | Back Directory | [Uses]
2-Chloro-6-nitrobenzoic acid can be used in the synthesis of laquinimod intermediate 2-amino-6-chlorobenzoic acid. | [Synthesis]
A mixture of 77.7 gm (0.453 mol) of 2-chloro-6-nitro-toluene, 190 gm (1.2 mol) of potassium permanganate, 500 ml of 1 N potassium hydroxide, and 4 liters of water was heated for 8.5 hours at 100° C. After standing overnight, 25 gm (0.16 mol) of potassium permanganate were added, and the reaction mixture was heated for 2.5 hours more at 100° C. The unreacted starting material was distilled off by steam distillation. The remaining reaction solution was filtered, the filter cake was washed with hot water, and the combined filtrates were evaporated to about 750 ml. After acidifying with hydrochloric acid a precipitate was obtained, which was filtered off and dried to afford 2-Chloro-6-nitrobenzoic acid. | [References]
[1] Patent: US6933406, 2005, B1. Location in patent: Page/Page column 5
[2] Patent: US6933406, 2005, B1. Location in patent: Page/Page column 5
[3] Organic Mass Spectrometry, 1986, vol. 21, p. 229 - 234 |
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