| Identification | More | [Name]
1,3-Dimethylpyrazole-5-carboxylic acid | [CAS]
5744-56-9 | [Synonyms]
1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
1,3-DIMETHYLPYRAZOLE-5-CARBOXYLIC ACID
AKOS B013525
AKOS PAO-0271
ART-CHEM-BB B013525
BUTTPARK 37\06-96
RARECHEM AL BO 2098
TIMTEC-BB SBB005425
1,3-Dimethylpyrazole-5-carboxyliccid
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid ,97% | [Molecular Formula]
C6H8N2O2 | [MDL Number]
MFCD00159636 | [Molecular Weight]
140.14 | [MOL File]
5744-56-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
208-213 °C | [Boiling point ]
302.4±22.0 °C(Predicted) | [density ]
1.28±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
Chloroform (Slightly, Heated), Methanol (Slightly) | [form ]
Solid | [pka]
3.11±0.25(Predicted) | [color ]
White | [Detection Methods]
HPLC | [InChI]
1S/C6H8N2O2/c1-4-3-5(6(9)10)8(2)7-4/h3H,1-2H3,(H,9,10) | [InChIKey]
QRWZFUBHOQWUGH-UHFFFAOYSA-N | [SMILES]
Cc1cc(C(O)=O)n(C)n1 | [CAS DataBase Reference]
5744-56-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust . | [RIDADR ]
2811 | [WGK Germany ]
1 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29331990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
White or off-white solid | [Uses]
1,3-Dimethylpyrazole-5-carboxylic acid (HL) serves as a ligand that reacts with M(OAc)2·4H2O (M = Cu or Co) in warm methanol to form the complexes [CuL2(H2O)2] and [CoL2(MeOH)4], in which the deprotonated acid coordinates to the metal ions in a monodentate fashion[3]. | [Synthesis]
1. 1,3-Dimethyl-1H-pyrazole-5-carboxylic acid methyl ester (5.14 kg) was slowly added to 20% aqueous sodium hydroxide solution (10 L) at 0 °C. 2. The reaction mixture was stirred at room temperature for 18 hours and then cooled to 0 °C. 3. Concentrated hydrochloric acid (4.2 L) was added slowly to the reaction mixture over a period of 7 hours. 4. The thick slurry formed was stirred for 18 hours at room temperature. 5. Stirring was continued at room temperature for 18 h. 5. The reaction mixture was filtered and the solid product was washed with water (500 mL). 6. The solid product was dried in a vacuum oven at 70 °C and 26 mmHg for 18 h to give 1,3-dimethyl-1H-pyrazole-5-carboxylic acid (3.8 kg, 81% yield, HPLC purity >97%). | [References]
[1] Patent: WO2006/48761, 2006, A2. Location in patent: Page/Page column 33
[2] Gazzetta Chimica Italiana, 1956, vol. 86, p. 797,808 |
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Energy Chemical
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Jia Xing Isenchem Co.,Ltd
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