2,4,5-Trimethoxyaniline

HCID 12410138

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Grundinformationen

CAS: 26510-91-8
Standard-SMILES: COc1cc(OC)c(OC)cc1N
InChIKey: SXVWPPJHFOCGAD-UHFFFAOYSA-N
Summenformel: C9H13NO3
Durchschnittliche Molmasse: 183,2 g/mol
Monoisotopische Masse: 183,08954328

Namen und Bezeichner

Bevorzugter Name: 2,4,5-Trimethoxyaniline
IUPAC: 2,4,5-trimethoxyaniline
Englischer Name: 2,4,5-Trimethoxyaniline
Summenformel: C9H13NO3
Molmasse: 183.2

Namen und Synonyme

2,4,5-TRIMETHOXYANILINE26510-91-8DTXSID80496967RefChem:245578DTXCID80447777862-889-9MFCD03840519Benzenamine, 2,4,5-trimethoxy-2,4,5-trimethoxy-phenylamine245-Trimethoxyaniline2,4,5-trimethoxy anilineSCHEMBL1708452

Weitere Namen anzeigen

2,4,5-Trimethoxyanlline5-AMINO-1,2,4-TRIMETHOXYBENZENE2,4,5-Trimethoxyaniline Hydrochloride

SXVWPPJHFOCGAD-UHFFFAOYSA-NAKOS009395818FT70210DS-17183SY114772CS-0312110EN300-110315F19854

Datenbank-Bezeichner

CAS: 26510-91-8
PubChem CID: 12410138
DTXSID: DTXSID80496967
EC Number: 862-889-9
Nikkaji: J2.598.650D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 53,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 154

Physikochemische Eigenschaften

Schmelzpunkt: 93 · 93-95 °C
Siedepunkt: 305.5 · 305.5±37.0 °C(Predicted)
Dichte: 1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 4.72 · 4.72±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): 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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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.