3-Chloro-4-methoxybenzylamine

3-chloro-4-methoxybenzenemethanamine · BenzeneMethanaMine, 3-chloro-4-Methoxy- · 3-Chloro-4-methoxybenzenemethanamine###3-Chloro-4-methoxybenzyl alcohol

https://huagongshe.com/de/chemical/738038

Molekülstruktur von 3-Chloro-4-methoxybenzylamine

Identifikatoren & physikalische Daten

CAS No.	115514-77-7
Summenformel	C8H10ClNO
Durchschnittliche Molmasse	171,62 g/mol
Monoisotopische Masse	171,04509162 g/mol
SMILES	COc1ccc(CN)cc1Cl
InChIKey	OCNMSDZALRAYEX-UHFFFAOYSA-N
PubChem CID	738038
EC No.	673-312-3
DTXSID	DTXSID80353309

Chemische & physikalische Eigenschaften

XLogP	1,2
Polarare Oberfläche (TPSA)	35,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	11
Formalladung	0
Komplexität	121
Siedepunkt	110 °C(Press: 0.3 Torr)
Dichte	1.180±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C, protect from light
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	9.01±0.10(Predicted)
Aggregatzustand	clear liquid
Farbe	Colorless to Almost colorless

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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%)
UN-Transportnummer	UN2735
Zollcode	2922290090
Gefahrenklasse	8

Anwendungen & Verwendung

Verwenden

3-Chloro-4-methoxybenzylamine is a reagent in the synthesis of avanafil (A794670) which is used for the treatment of erectile dysfunction.