Methyl 5-Amino-2-chlorobenzoate

TIMTEC-BB SBB013130 · OTAVA-BB 7020693933 · METHYL 2-CHLORO-5-AMINOBENZOATE · Methyl 3-amino-6-chlorobenzoate · Methyl-5-amino-2-chlorobenzoate · Methyl 2-chloro-5-aminobenzoate 95+% · 5-Amino-2-chlorobenzoic acid methyl ester · 2-Chloro-5-aMinobenzoic acid Methyl ester

https://huagongshe.com/de/chemical/5200412

Molekülstruktur von Methyl 5-Amino-2-chlorobenzoate

Identifikatoren & physikalische Daten

CAS No.	42122-75-8
Summenformel	C8H8ClNO2
Durchschnittliche Molmasse	185,61 g/mol
Monoisotopische Masse	185,02435618 g/mol
SMILES	COC(=O)c1cc(N)ccc1Cl
InChIKey	LBNPBOFVHYOPIB-UHFFFAOYSA-N
PubChem CID	5200412
EC No.	834-831-2
DTXSID	DTXSID40409457

Chemische & physikalische Eigenschaften

XLogP	2,7
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	68-70℃
Siedepunkt	320℃
Dichte	1.311
Flammpunkt	147℃
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to lump
pKa (Säurekonstante)	2.81±0.10(Predicted)
Farbe	White to Yellow to Orange
InChI	InChI=1S/C8H8ClNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3
InChIKey	LBNPBOFVHYOPIB-UHFFFAOYSA-N
SMILES	C(OC)(=O)C1=CC(N)=CC=C1Cl

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (66.7%): 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 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	Acute Tox. 4 (66.7%)
Zollcode	2916399090

Anwendungen & Verwendung

Verwenden

Methyl 5-amino-2-chlorobenzoate