1-Methylindazole-3-carboxylic acid
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1-Methylindazole-3-carboxylic acid
structure -
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CAS No:
50890-83-0
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Formula:
C9H8N2O2
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Chemical Name:
1-Methylindazole-3-carboxylic acid
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Synonyms:
N-METHYL-(1H)INDAZOLE-3-CARBOXYLIC ACID
- Categories:
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CAS No:
1-Methylindazole-3-carboxylic acid Basic Attributes
176.17
176.058578
F9P5J2E2BU
DTXSID10351050
2933990090
Characteristics
55.1
1.4
off-white to yellowish powder
1.4±0.1 g/cm3
213 °C
383.7°C at 760 mmHg
185.8±20.4 °C
1.653
Insoluble in water. Soluble in DMSO and Methanol.
Refrigerator
Safety Information
NONH for all modes of transport
3
R22;R36/37/38
S26-S36/37/39-S22
Xn:Harmful
P301 + P312 + P330-P305 + P351 + P338
H302-H319
|Warning|H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Methylindazole-3-carboxylic acid Use and Manufacturing
General procedure: 4-Methyl-4H-thieno[3, 2-b]pyrrole-5-carboxylic acid (0.18 g, 1.00 mmol) was added to a solution of HATU (0.38 g, 1.00 mmol) in 2 mL anhydrous DMF. The mixture was stirred at room temperature for one hour, and then intermediate M9f (0.39 g, 0.90 mmol) and N, N-diisopropylethylamine (0.13 g, 1.00 mmol) were added. The solution was stirred at room temperature until complete as indicated by TLC, poured into 20 mL water and extracted with ethyl acetate. The combined ethyl acetate was washed with water and brine, dried over anhydrous sodium sulfate, and condensed. Chromatography was performed on a silica gel (petroleum ether: ethyl acetate = 5: 1) to obtain M10f (0.36 g, 67.66 %) as a white solid.
Granisetron Impurity D.
Computed Properties
Molecular Weight:176.17
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:176.058577502
Monoisotopic Mass:176.058577502
Topological Polar Surface Area:55.1
Heavy Atom Count:13
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Methylindazole-3-carboxylic acid
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