2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid

2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid · NSC 266055 · N-Maleoylglycine · N-MaleiMidoglycine · N,N-maleoyl-glycine · MALEIMIDOACETIC ACID · 2-maleimide acetic acid · 2-MALEIMIDO ACETIC ACID

https://huagongshe.com/de/chemical/319935

Molekülstruktur von 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid

Identifikatoren & physikalische Daten

CAS No.	25021-08-3
Summenformel	C6H5NO4
Durchschnittliche Molmasse	155,11 g/mol
Monoisotopische Masse	155,02185764 g/mol
SMILES	O=C(O)CN1C(=O)C=CC1=O
InChIKey	GBKPNGVKZQBPCZ-UHFFFAOYSA-N
PubChem CID	319935
ChEMBL	CHEMBL1878916
EC No.	607-487-4
DTXSID	DTXSID40313040

Chemische & physikalische Eigenschaften

XLogP	-0,1
Polarare Oberfläche (TPSA)	74,7
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	11
Formalladung	0
Komplexität	237
Schmelzpunkt	114 °C(Solv: chloroform (67-66-3))
Siedepunkt	376.7±25.0 °C(Predicted)
Dichte	1.578±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	soluble in DMSO, Methanol
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	3.31±0.10(Predicted)
Farbe	White to Almost white
InChI	InChI=1S/C6H5NO4/c8-4-1-2-5(9)7(4)3-6(10)11/h1-2H,3H2,(H,10,11)
InChIKey	GBKPNGVKZQBPCZ-UHFFFAOYSA-N
SMILES	N1(CC(O)=O)C(=O)C=CC1=O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 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.
Hazard Classes and Categories	Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (50%)
Zollcode	2925.19.4200

Anwendungen & Verwendung

Verwenden

Maleimidoacetic Acid (CAS# 25021-08-3) is a heterocyclic organic compound that has a variety of uses in organic synthesis. It contains both a maleimide and carboxylic acid functional group, making it a versatile reagent for coupling reactions with amine-containing compounds.