1-Methyl-1H-indol-3-carbaldehyd

1-Methyl-1H-indole-3-carbaldehyde

HCID 87894CAS 19012-03-4
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Grundinformationen

Standard-SMILES
Cn1cc(C=O)c2ccccc21
InChIKey
KXYBYRKRRGSZCX-UHFFFAOYSA-N
Summenformel
C10H9NO
Durchschnittliche Molmasse
159,18 g/mol
Monoisotopische Masse
159,06841391

Namen und Bezeichner

Bevorzugter Name
1-Methyl-1H-indole-3-carbaldehyde
IUPAC
1-methylindole-3-carbaldehyde
Lokaler Name
1-Methyl-1H-indol-3-carbaldehyd
Englischer Name
1-Methylindole-3-carboxaldehyde
Summenformel
C10H9NO
Molmasse
159.18

Namen und Synonyme

1-Methyl-1H-indole-3-carbaldehyde19012-03-41-Methylindole-3-carboxaldehyde1-methylindole-3-carbaldehyde1H-Indole-3-carboxaldehyde, 1-methyl-3-Formyl-1-methylindoleN-Methyl-3-formylindole1-Methyl-3-formylindoleN-Methyl-3-indolecarboxaldehydeN-Methylindole-3-carbaldehydeZ612E3VMZ5EINECS 242-750-3
Weitere Namen anzeigen
AKOS JY2082515RARECHEM AH BS 0121TIMTEC-BB SBB010057ASINEX-REAG BAS 12967420N-methyl-3-carboxaldehyde1 METHYLINDOLE-3-ALDEHYDE
NSC-83042AI3-51477DTXSID50172483NSC 83042RefChem:433863DTXCID2094974242-750-3MFCD00014570

Datenbank-Bezeichner

CAS
19012-03-4
PubChem CID
87894
DTXSID
DTXSID50172483
ChEMBL
CHEMBL210779
UNII
Z612E3VMZ5
EC Number
242-750-3
Nikkaji
J46.086I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
Polarare Oberfläche (TPSA)
22 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Solubility>23.9 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt
70 · 70-72 °C (lit.)
Siedepunkt
186 · 186-189 °C(Press: 3-4 Torr)
Dichte
1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand
Crystalline Powder and Chunks
Farbe
Light yellow to orange or brown

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Sicherheitsdaten

wgk
3
hs_code
29339900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Methylindole-3-carboxaldehyde is used as a reactant for preparation of nitroolefins and β-nitroalcohols via microwave- or ultrasound-assisted Henry reactions, reactant for synthesis of quinolinones via three-component Ugi reaction, reactant for synthesis of α-ketoamides as inhibitors of Dengue virus protease with antiviral activity in cell-culture, reactant for preparation of thiazolopyrimidinones as inhibitors of Bcl-2 proteins, reactant for preparation of vinylindoles via Peterson olefination or olefination with Nysted reagent, reactant for preparation of indolyl alkenes from microwave-enhanced Knoevenagel condensation as antibacterial agents 1-Methylindole-3-carboxaldehyde may be used in the synthesis of (Z)-3-(1-methyl-1H-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile, via base-catalyzed condensation with thiophene-3-acetonitrile. It was also used in the preparation of monomer, required for the synthesis of poly(3-vinyl-1-methylindole).

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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