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HCID 119707Erstellt: 27. Oktober 2026

Ethyl-4-(phenylmethoxy)-1H-indol-2-carboxylat

2-CARBETHOXY-4-BENZYLOXYINDOLE · SDZ-201106 Impurity 1 · 4-BENZYLOXY-2-CARBETHOXYINDOLE · ETHYL 4-BENZYLOXY-2-INDOLECARBOXYLATE · ETHYL 4-(BENZYLOXY)INDOLE-2-CARBOXYLATE · 4-(Benzyloxy)-2-(ethoxycarbonyl)-1H-indole · Ethyl 4-(benzyloxy)-1H-indole-2-carboxylate · ethyl 4-(phenylmethoxy)-1H-indole-2-carboxylate

https://huagongshe.com/de/chemical/119707

Molekülstruktur von Ethyl-4-(phenylmethoxy)-1H-indol-2-carboxylat

Identifikatoren & physikalische Daten

CAS No.	27737-55-9
Summenformel	C18H17NO3
Durchschnittliche Molmasse	295,3 g/mol
Monoisotopische Masse	295,1208434 g/mol
SMILES	CCOC(=O)c1cc2c(OCc3ccccc3)cccc2[nH]1
InChIKey	HIQPISGKBJHKIN-UHFFFAOYSA-N
PubChem CID	119707
EC No.	248-627-0
DTXSID	DTXSID90182086
Lokaler Name	Ethyl-4-(phenylmethoxy)-1H-indol-2-carboxylat

Chemische & physikalische Eigenschaften

XLogP	4,1
Polarare Oberfläche (TPSA)	51,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	6
Schwere Atome	22
Formalladung	0
Komplexität	367
Schmelzpunkt	170-172 °C(Solv: ethyl acetate (141-78-6)hexane (110-54-3))
Siedepunkt	481.4±30.0 °C(Predicted)
Dichte	1.225±0.06 g/cm3(Predicted)
Lagerbedingungen	Store at Room Tem.
pKa (Säurekonstante)	15.18±0.30(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
Zollcode	2933998090
Gefahrensymbole	Xi
hazard_note	Irritant

Ethyl-4-(phenylmethoxy)-1H-indol-2-carboxylat

CAS No.

27737-55-9

Summenformel

C18H17NO3

Durchschnittliche Molmasse

295,3 g/mol

Monoisotopische Masse

295,1208434 g/mol

SMILES

CCOC(=O)c1cc2c(OCc3ccccc3)cccc2[nH]1

InChIKey

HIQPISGKBJHKIN-UHFFFAOYSA-N

PubChem CID

119707

EC No.

248-627-0

DTXSID

DTXSID90182086

Lokaler Name

Ethyl-4-(phenylmethoxy)-1H-indol-2-carboxylat

Chemische & physikalische Eigenschaften

XLogP

4,1

Polarare Oberfläche (TPSA)

51,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

367

Schmelzpunkt

170-172 °C(Solv: ethyl acetate (141-78-6)hexane (110-54-3))

Siedepunkt

481.4±30.0 °C(Predicted)

Dichte

1.225±0.06 g/cm3(Predicted)

Lagerbedingungen

Store at Room Tem.

pKa (Säurekonstante)

15.18±0.30(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard Classes and Categories

Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)

Zollcode

2933998090

Gefahrensymbole

hazard_note

Irritant