1-Methyl-1H-indole-6-carboxylic acid

HCID 19819261CAS 202745-73-1

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Grundinformationen

Standard-SMILES: Cn1ccc2ccc(C(=O)O)cc21
InChIKey: DJQOGNYSBOIJKE-UHFFFAOYSA-N
Summenformel: C10H9NO2
Durchschnittliche Molmasse: 175,18 g/mol
Monoisotopische Masse: 175,06332853

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-1H-indole-6-carboxylic acid
IUPAC: 1-methylindole-6-carboxylic acid
Englischer Name: 1-Methyl-1H-indole-6-carboxylic acid 97
Summenformel: C10H9NO2
Molmasse: 175.18

Namen und Synonyme

1-methyl-1H-indole-6-carboxylic acid202745-73-1DTXSID40600301RefChem:231515DTXCID70551059640-743-31-methylindole-6-carboxylic acid1H-Indole-6-carboxylic acid, 1-methyl-MFCD086902501-Methyl-6-indolecarboxylic AcidF2191-00071-methyl-1H-indole-6-carboxylicacid

Weitere Namen anzeigen

CC 442016-Carboxy-1-methyl-1H-indole1-Methyl-1H-indol-6-carboxylic acid1-Methyl-1H-indole-6-carboxylic acid 971-Methyl-1H-indole-6-carboxylic acid 97%1-methyl-1H-indole-6-carboxylic acid(SALTDATA: FREE)

1-Methyl-IH-indole-6-carboxylic acidAKOS005174480AB92307CS-01352751-methyl-1H-indole-6-carboxylic acid, AldrichCPRAM807238A1AXE1H-Indole-6-carboxylic

Datenbank-Bezeichner

CAS: 202745-73-1
PubChem CID: 19819261
DTXSID: DTXSID40600301
EC Number: 640-743-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 42,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 217

Physikochemische Eigenschaften

Schmelzpunkt: 197 °C · 197 °C
Siedepunkt: 389 · 389.0±15.0 °C(Predicted)
Dichte: 1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 4.53 · 4.53±0.30(Predicted)
Farbe: Pale yellow
InChI: 1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)
InChIKey: DJQOGNYSBOIJKE-UHFFFAOYSA-N
SMILES: Cn1ccc2ccc(cc12)C(O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.