3-Iodo-4-methoxyaniline

HCID 22054596CAS 74587-12-5

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Grundinformationen

Standard-SMILES: COc1ccc(N)cc1I
InChIKey: UHPNLGCUIGEZRB-UHFFFAOYSA-N
Summenformel: C7H8INO
Durchschnittliche Molmasse: 249,05 g/mol
Monoisotopische Masse: 248,96506

Namen und Bezeichner

Bevorzugter Name: 3-Iodo-4-methoxyaniline
IUPAC: 3-iodo-4-methoxyaniline
Englischer Name: 3-Iodo-4-methoxyaniline
Summenformel: C7H8INO
Molmasse: 249.05

Namen und Synonyme

3-Iodo-4-methoxyaniline74587-12-5DTXSID10622075RefChem:502685DTXCID10572829616-118-64-Amino-2-iodoanisoleMFCD066565663-iodo-4-methoxy-aniline3-iodo-4-methoxyphenylamine3-Iodo-p-anisidineBenzenamine, 3-iodo-4-methoxy-

Weitere Namen anzeigen

3-Iodo-4-methoxyaniline>3-Iodo-4-methoxybenzenamine3-Iodo-4-methoxyaniline,98%BenzenaMine,3-iodo-4-Methoxy-4-Amino-2-iodoanisole, 3-Iodo-p-anisidine

3-IODO-4-METHOXY-PHENYLAMINE(3-iodo-4-methoxyphenyl)amine hydrochlorideSCHEMBL111823SCHEMBL29529499ALBB-024699CL8429SBB072089AKOS010054655

Datenbank-Bezeichner

CAS: 74587-12-5
PubChem CID: 22054596
DTXSID: DTXSID10622075
EC Number: 616-118-6
Nikkaji: J3.242.738C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Schmelzpunkt: 74 °C · 74 °C
Siedepunkt: 321 ℃ · 321℃
Dichte: 1.807 · 1.807
Flammpunkt: 148 ℃ · 148℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 4.24 · 4.24±0.10(Predicted)
Farbe: White to Gray to Brown
InChIKey: UHPNLGCUIGEZRB-UHFFFAOYSA-N
CAS Datenbank: 74587 · 74587-12-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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, P317, 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.；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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (66.7%)；STOT SE 3 (66.7%)