| Identification | More | [Name]
5-Phenyl-1H-pyrazole-3-carboxylic acid | [CAS]
1134-49-2 | [Synonyms]
3-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
5-PHENYL-2 H-PYRAZOLE-3-CARBOXYLIC ACID
5-PHENYL-PYRAZOLE-3-CARBOXYLIC ACID
AKOS BBS-00002542
CBI-BB ZERO/006131
CHEMBRDG-BB 4401595
CHEMBRDG-BB 7253309
IFLAB-BB F0348-3292
SALOR-INT L250023-1EA
TIMTEC-BB SBB006941
3-phenyl-pyrazole-5-carboxylicaci
3-phenylpyrazole-5-carboxylicacid
5-Phenyl-1H-pyrazole-3-carboxylic acid ,97% | [Molecular Formula]
C10H8N2O2 | [MDL Number]
MFCD01248821 | [Molecular Weight]
188.18 | [MOL File]
1134-49-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
250 °C | [storage temp. ]
2-8°C | [form ]
solid | [Detection Methods]
HPLC | [InChI]
InChI=1S/C10H8N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14) | [InChIKey]
QBPUOAJBMXXBNU-UHFFFAOYSA-N | [SMILES]
C1(=NNC(C(=O)O)=C1)C1C=CC=CC=1 | [CAS DataBase Reference]
1134-49-2(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
| [HazardClass ]
IRRITANT | [HS Code ]
29331990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [Toxicity]
mouse,LDLo,intraperitoneal,1gm/kg (1000mg/kg),Farmakologiya i Toksikologiya Vol. 27, Pg. 295, 1964. |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Definition]
ChEBI: 3-phenyl-1H-pyrazole-5-carboxylic acid is a ring assembly and a member of pyrazoles. | [Synthesis]
To a mixed solution of methyl 5-phenylpyrazole-3-carboxylate (6.02 g, 29.8 mmol) in THF with H2O (3:1, 140 mL) was added LiOH (3.42 g, 142.8 mmol) and the reaction mixture was stirred overnight at room temperature. After completion of the reaction, the mixture was poured into 2N HCl solution (150 mL) and extracted with ethyl acetate. The organic layers were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 3-phenyl-1H-pyrazole-5-carboxylic acid (3.2 g, 57.1% yield). The product was confirmed by mass spectrometry (EI) with molecular formula C10H8N2O2, m/z: 189.26 (MH+). | [References]
[1] Patent: WO2006/33943, 2006, A2. Location in patent: Page/Page column 77 |
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