2,4-Dichloro-5-methoxyaniline

HCID 1476636CAS 98446-49-2

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Grundinformationen

Standard-SMILES: COc1cc(N)c(Cl)cc1Cl
InChIKey: AJROJTARXSATEB-UHFFFAOYSA-N
Summenformel: C7H7Cl2NO
Durchschnittliche Molmasse: 192,04 g/mol
Monoisotopische Masse: 190,9904692

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-5-methoxyaniline
IUPAC: 2,4-dichloro-5-methoxyaniline
Englischer Name: 2,4-Dichloro-5-methoxyaniline
Summenformel: C7H7Cl2NO
Molmasse: 192.04

Namen und Synonyme

2,4-dichloro-5-methoxyaniline98446-49-22,4-Dichloro-5-methoxybenzenamineDTXSID80363100RefChem:443305DTXCID30314147619-345-95-Amino-2,4-dichloroanisoleMFCD00974410BENZENAMINE, 2,4-DICHLORO-5-METHOXY-YQ2NS3GL2BMLS000707240

Weitere Namen anzeigen

5-Amino-2,4-dBosutinib Impurity 12Bosutinib Impurity 254,6-Dichloro-m-anisidineBosutinib Impurity 12 CRS5-AMINO-4,6-DICHLOROANISOLE2,4-Dichloro-5-methhoxyaniline5-Amino-2,4-dichloroanisole >

AKOS005070483CS-W0158314L-348SAC-4783PB44002SMR000334622EN300-7250792,4-dichloro-5-methoxyphenylamine

Datenbank-Bezeichner

CAS: 98446-49-2
PubChem CID: 1476636
DTXSID: DTXSID80363100
ChEMBL: CHEMBL1385409
UNII: YQ2NS3GL2B
EC Number: 619-345-9
Nikkaji: J373.459E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 134

Physikochemische Eigenschaften

Schmelzpunkt: 51 °C · 51 °C
Siedepunkt: 290.1 · 290.1±35.0 °C(Predicted)
Dichte: 1.375 · 1.375±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 1.59 · 1.59±0.10(Predicted)
Farbe: Pale Brown
InChIKey: AJROJTARXSATEB-UHFFFAOYSA-N
CAS Datenbank: 98446 · 98446-49-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (83.3%): 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, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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.