ChemicalBook--->CAS DataBase List--->907545-47-5

907545-47-5

907545-47-5 Structure

907545-47-5 Structure
IdentificationBack Directory
[Name]

2-Chloro-5-nitro isonicotinic acid
[CAS]

907545-47-5
[Synonyms]

2-Chloro-5-nitro isonicotinic acid
2-Chloro-5-nitroisonicotinic acid 97%
2-chloro-5-nitro-4-Pyridinecarboxylic acid
2-chloro-5-nitropyridine-4-carbo×ylic acid
2-chloro-5-nitropyridine-4-carboxylic acid
4-Pyridinecarboxylic acid, 2-chloro-5-nitro-
[Molecular Formula]

C6H3ClN2O4
[MDL Number]

MFCD14584664
[MOL File]

907545-47-5.mol
[Molecular Weight]

202.55
Chemical PropertiesBack Directory
[Boiling point ]

480.2±45.0 °C(Predicted)
[density ]

1.702±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

crystalline powder
[pka]

1.08±0.25(Predicted)
[color ]

White
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P260-P280-P312
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-5-nitro isonicotinic acid(907545-47-5)1HNMR
2-Chloro-5-nitro isonicotinic acid(907545-47-5)FT-IR
Hazard InformationBack Directory
[Synthesis]

2-Chloro-4-methyl-5-nitropyridine

23056-33-9

2-Chloro-5-nitro isonicotinic acid

907545-47-5

General procedure for the synthesis of 2-chloro-5-nitroisonicotinic acid from 2-chloro-5-nitro-4-methylpyridine: 2-chloro-4-methyl-5-nitropyridine (31 g, 180 mmol) was dissolved in concentrated hydrochloric acid (300 mL) and the resulting mixture was cooled to 0 °C. Subsequently, chromium trioxide (CrO3, 59.4 g, 594 mmol) was slowly added to the solution. After continuous stirring at 0 °C for 1 h, the reaction mixture was gradually warmed to room temperature and stirring was continued overnight. After completion of the reaction, the mixture was slowly poured into ice water (1 L). After the mixture was warmed up to room temperature, filtration operation was carried out. The resulting solid was washed thoroughly with distilled water (2 L) and subsequently dried under vacuum to afford the target product 2-chloro-5-nitroisonicotinic acid as a white solid (28.5 g, 78% yield). The product was analyzed by LC/MS showing MS (ES) m/e 203 (MH+); 1H NMR (300 MHz, DMSO-d6) δ ppm 8.04 (s, 1H), 9.16 (s, 1H).

[References]

[1] Patent: WO2013/95761, 2013, A1. Location in patent: Page/Page column 39
[2] Patent: US2016/244451, 2016, A1. Location in patent: Paragraph 0167; 0168; 0169
[3] Patent: WO2015/200534, A2. Location in patent: Paragraph 00610
[3] Patent: , 2015, . Location in patent: Paragraph 00610
[5] Patent: US2006/122236, 2006, A1. Location in patent: Page/Page column 20
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