2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate

AKOS B000485 · AKOS NCG-0060 · ART-CHEM-BB B000485 · TIMTEC-BB SBB009175 · OTAVA-BB BB7020310252 · DIMETHYL 5-AMINO-3-METHYL-2,4-THIOPHENEDICARBOXYLATE · Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate · 5-Amino-3-methylthiophene-2,4-dicarboxylic aciddiumethyl

https://huagongshe.com/de/chemical/607607

Molekülstruktur von 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate

Identifikatoren & physikalische Daten

CAS No.	103765-33-9
Summenformel	C9H11NO4S
Durchschnittliche Molmasse	229,26 g/mol
Monoisotopische Masse	229,04087901 g/mol
SMILES	COC(=O)c1sc(N)c(C(=O)OC)c1C
InChIKey	JNLHLSOENLVUIJ-UHFFFAOYSA-N
PubChem CID	607607
EC No.	672-036-0
DTXSID	DTXSID80345860

Chemische & physikalische Eigenschaften

XLogP	2,2
Polarare Oberfläche (TPSA)	107
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	4
Schwere Atome	15
Formalladung	0
Komplexität	271
Schmelzpunkt	142-143°C
Siedepunkt	346.9±37.0 °C(Predicted)
Dichte	1.323±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	-0.58±0.10(Predicted)

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	29349990
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Gefahrenklasse	IRRITANT