167479-16-5

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167479-16-5 Structure

Identification	Back Directory
[Name] 1-METHYL-1H-INDOLE-7-CARBOXYLIC ACID
[CAS] 167479-16-5
[Synonyms] 1-Methyl-7-indolecarboxylic Acid 1-Methylindole-7-carboxylic acid 1-methylindolyl-7-carboxylic acid 1-METHYL-1H-INDOLE-7-CARBOXYLIC ACID 1H-Indole-7-carboxylic acid, 1-methyl-
[Molecular Formula] C10H9NO2
[MDL Number] MFCD09879957
[MOL File] 167479-16-5.mol
[Molecular Weight] 175.18

Chemical Properties	Back Directory
[Boiling point ] 389.0±15.0 °C(Predicted)
[density ] 1.24±0.1 g/cm3(Predicted)
[storage temp. ] 2-8°C
[form ] solid
[pka] 4.59±0.10(Predicted)
[Appearance] White to off-white Solid
[InChI] 1S/C10H9NO2/c1-11-6-5-7-3-2-4-8(9(7)11)10(12)13/h2-6H,1H3,(H,12,13)
[InChIKey] DWKIPLIDZYRILV-UHFFFAOYSA-N
[SMILES] Cn1ccc2cccc(C(O)=O)c12

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H312-H315-H319-H332-H335
[Precautionary statements ] P261-P280-P305+P351+P338
[Hazard Codes ] Xn
[Risk Statements ] 22
[WGK Germany ] WGK 3
[HS Code ] 2933998090
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

Spectrum Detail	Back Directory
[Spectrum Detail] 1-METHYL-1H-INDOLE-7-CARBOXYLIC ACID(167479-16-5)¹HNMR

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