Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate

BUTTPARK 37\18-33 · TIMTEC-BB SBB005529 · Methyl 3-Amino-5-(4-Fluoropheyl)Thiophen · METHYL 3-AMINO-5-(4-FLUOROPHEYL)THIOPHENE-2-CARBOXYLATE · Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate · methyl 3-amino-5-(3-fluorophenyl)thiophene-2-carboxylate · 3-amino-5-(4-fluorophenyl)-4-methyl-2-thiophenecarboxylate · Methyl3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate97%

https://huagongshe.com/de/chemical/619692

Molekülstruktur von Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate

Identifikatoren & physikalische Daten

CAS No.	175137-08-3
Summenformel	C12H10FNO2S
Durchschnittliche Molmasse	251,28 g/mol
Monoisotopische Masse	251,04162778 g/mol
SMILES	COC(=O)c1sc(-c2ccc(F)cc2)cc1N
InChIKey	YIBRKYVKVWTHEM-UHFFFAOYSA-N
PubChem CID	619692
ChEMBL	CHEMBL1831216
EC No.	671-936-0
DTXSID	DTXSID90347279

Chemische & physikalische Eigenschaften

XLogP	3,4
Polarare Oberfläche (TPSA)	80,6
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	3
Schwere Atome	17
Formalladung	0
Komplexität	282
Schmelzpunkt	153-155°C
Siedepunkt	438.8±45.0 °C(Predicted)
Dichte	1.332±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	1.62±0.10(Predicted)
CAS Datenbank	175137-08-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	2934999090
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
hazard_note	Irritant/Stench
Sicherheitshinweise (S)	26-36/37/39-24/25

HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 619692Erstellt: 27. Oktober 2026

Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate

https://huagongshe.com/de/chemical/619692

Identifikatoren & physikalische Daten

CAS No.	175137-08-3
Summenformel	C12H10FNO2S
Durchschnittliche Molmasse	251,28 g/mol
Monoisotopische Masse	251,04162778 g/mol
SMILES	COC(=O)c1sc(-c2ccc(F)cc2)cc1N
InChIKey	YIBRKYVKVWTHEM-UHFFFAOYSA-N
PubChem CID	619692
ChEMBL	CHEMBL1831216
EC No.	671-936-0
DTXSID	DTXSID90347279

Chemische & physikalische Eigenschaften

XLogP	3,4
Polarare Oberfläche (TPSA)	80,6
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	3
Schwere Atome	17
Formalladung	0
Komplexität	282
Schmelzpunkt	153-155°C
Siedepunkt	438.8±45.0 °C(Predicted)
Dichte	1.332±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	1.62±0.10(Predicted)
CAS Datenbank	175137-08-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	2934999090
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
hazard_note	Irritant/Stench
Sicherheitshinweise (S)	26-36/37/39-24/25