Methyl indole-3-carboxylate

HCID 589098CAS 942-24-5
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Grundinformationen

Standard-SMILES
COC(=O)c1c[nH]c2ccccc12
InChIKey
QXAUTQFAWKKNLM-UHFFFAOYSA-N
Summenformel
C10H9NO2
Durchschnittliche Molmasse
175,18 g/mol
Monoisotopische Masse
175,06332853

Überblick

Methyl indole-3-carboxylate is the methyl ester of indole-3-carboxylic acid. It has a role as a metabolite. It is a member of indoles and a methyl ester. It is functionally related to an indole-3-carboxylic acid.

Namen und Bezeichner

Bevorzugter Name
Methyl indole-3-carboxylate
IUPAC
methyl 1H-indole-3-carboxylate
Englischer Name
Methyl indole-3-carboxylate
Summenformel
C10H9NO2
Molmasse
175.18

Namen und Synonyme

Methyl indole-3-carboxylate942-24-5Methyl 1H-indole-3-carboxylateIndole-3-carboxylic Acid Methyl Ester3-carbomethoxyindole3-methoxycarbonylindoleCHEBI:65019DTXSID10343334RefChem:817800DTXCID70294414629-395-3Methyl 3-indolecarboxylate
Weitere Namen anzeigen
methyl indoline-3-carboxylate1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTERRARECHEM AH BS 0112Oxiracetam Impurity 383-indole,Methyl forMate
1H-Indole-3-carboxylic acid, methyl estermethylindole-3-carboxylateMFCD00189407Indole-3-carboxylic acid, methyl esterCHEMBL2270066Methyl 1H-indole-3-carboxylate #METHYL INDOLE-3- CARBOXYLATEHY-79635

Datenbank-Bezeichner

CAS
942-24-5
PubChem CID
589098
DTXSID
DTXSID10343334
ChEMBL
CHEMBL2270066
ChEBI
CHEBI:65019
EC Number
629-395-3
Nikkaji
J291.457C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
42,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
149 · 149-152 °C (lit.)
Siedepunkt
306.47 °C · 306.47°C (rough estimate)
Dichte
1.1999 · 1.1999 (rough estimate)
Brechungsindex
1.506 · 1.5060 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
DMSO (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen

VerwendenMethyl indole-3-carboxylate is a reagent in the preaparation of oncrasin-1 derivatives which is a novel inhibitor of the C-terminal domain of RNA polymerase II.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

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