Methyl 3-amino-4-bromobenzoate

Methyl 3-amino-4-bromobenzoate · 3-Amino-4-bromo-benzoic acid me · Methyl 3-Amino-4-bromobenzoate 98% · Benzoicacid, 3-aMino-4-broMo-, Methyl ester · benzoic acid,3-amino-4-bromo-,methyl ester,methyl3-amino-4-bromobenzoate,Methyl 3-Amino-4-bromobenzoate,2-bromo-5-methoxycarbonylaniline,3-

https://huagongshe.com/de/chemical/3928639

Molekülstruktur von Methyl 3-amino-4-bromobenzoate

Identifikatoren & physikalische Daten

CAS No.	46064-79-3
Summenformel	C8H8BrNO2
Durchschnittliche Molmasse	230,06 g/mol
Monoisotopische Masse	228,9738406 g/mol
SMILES	COC(=O)c1ccc(Br)c(N)c1
InChIKey	GPMSTDWXXKAKCT-UHFFFAOYSA-N
PubChem CID	3928639
EC No.	674-909-1
DTXSID	DTXSID40398019

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	52,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	12
Formalladung	0
Komplexität	174
Schmelzpunkt	118-120°C
Siedepunkt	337.0±22.0 °C(Predicted)
Dichte	1.578±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
pKa (Säurekonstante)	1.39±0.10(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]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.
Hazard Classes and Categories	Acute Tox. 4 (50%)
Zollcode	29163990
Gefahrenklasse	IRRITANT