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ChemicalBook--->CAS DataBase List--->50890-83-0

50890-83-0

50890-83-0 Structure

50890-83-0 Structure
IdentificationMore
[Name]

1-Methylindazole-3-carboxylic acid
[CAS]

50890-83-0
[Synonyms]

1-METHYL-1H-INDAZOLE-3-CARBOXYLIC ACID
1-METHYL-3-INDAZOLECARBOXYLIC ACID
1-METHYLINDAZOLE-3-CARBOXYLIC ACID
1-METHYL-INDAZOLE-CARBOXYLIC-ACID
AKOS BB-9979
N-METHYL-(1H)INDAZOLE-3-CARBOXYLIC ACID
N-METHYL-INDAZOLE-3-CARBOXYLIC ACID
N-METHYL-INDOZOLE-3-CARBOXYLIC ACID
TIMTEC-BB SBB000193
1-chloro-2-methyl-4-nitrobenzene
1-MethylIndazoleCarboxylicAcid(ForGranisetronHcl)
1-methylindazole-3-carboxylic acid (intermediate of granisetron)
1H-INDAZOLE-3-CARBOXYLIC ACID, 1-METHYL-
MIC(1-methyl-indozole-3-carboxylicacid)
METHYL-INDOZOLE-3-CARBOXYLIC ACID
1-Methylindazole-3-carboxylic acid ,98%
[EINECS(EC#)]

626-233-3
[Molecular Formula]

C9H8N2O2
[MDL Number]

MFCD00272569
[Molecular Weight]

176.17
[MOL File]

50890-83-0.mol
Chemical PropertiesBack Directory
[Melting point ]

213 °C
[Boiling point ]

383.7±15.0 °C(Predicted)
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.14±0.10(Predicted)
[color ]

White to Off White
[Water Solubility ]

Insoluble in water. Soluble in DMSO and Methanol.
[Detection Methods]

T,NMR
[InChI]

InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H,1H3,(H,12,13)
[InChIKey]

OVVDFORZEGKEJM-UHFFFAOYSA-N
[SMILES]

N1(C)C2=C(C=CC=C2)C(C(O)=O)=N1
[CAS DataBase Reference]

50890-83-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36:Irritating to the eyes.
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
[WGK Germany ]

3
[Hazard Note ]

Harmful
[HazardClass ]

IRRITANT
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Sulfuric acid-->Sodium nitrite-->Stannous chloride dihydrate-->Isatin
[Preparation Products]

1-METHYL-1H-INDAZOLE-3-CARBALDEHYDE-->1H-Indazole-3-carboxylic acid, 1-Methyl-, 2-cyclohexen-1-yl ester
Hazard InformationBack Directory
[Chemical Properties]

Off White Solid
[Uses]

1-Methylindazole-3-carboxylic acid is used as important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as a pharmaceutical adjuvant, Granisetron Impurity D.
[Uses]

Granisetron Impurity D.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 63, p. 8448, 1998 DOI: 10.1021/jo981557o
Spectrum DetailBack Directory
[Spectrum Detail]

1-Methylindazole-3-carboxylic acid(50890-83-0)1HNMR
1-Methylindazole-3-carboxylic acid(50890-83-0)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-methyl-1H-indazole-3-carboxylic acid(50890-83-0)
[Alfa Aesar]

1-Methylindazole-3-carboxylic acid, 97%(50890-83-0)
[Sigma Aldrich]

50890-83-0(sigmaaldrich)
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