4-Chlor-o-anisidin

Benzenamine, 4-chloro-2-methoxy-

HCID 7143

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Grundinformationen

CAS: 93-50-5
Standard-SMILES: COc1cc(Cl)ccc1N
InChIKey: WOXLPNAOCCIZGP-UHFFFAOYSA-N
Summenformel: C7H8ClNO
Durchschnittliche Molmasse: 157,6 g/mol
Monoisotopische Masse: 157,0294416

Namen und Bezeichner

Bevorzugter Name: Benzenamine, 4-chloro-2-methoxy-
IUPAC: 4-chloro-2-methoxyaniline
Lokaler Name: 4-Chlor-o-anisidin
Englischer Name: 4-Chloro-2-anisidine hydrochloride
Summenformel: C7H8ClNO
Molmasse: 157.6

Namen und Synonyme

4-chloro-2-methoxyaniline93-50-5Benzenamine, 4-chloro-2-methoxy-4-Chloro-o-anisidine4-chloro-2-methoxybenzenamineEINECS 202-251-3DTXSID5059088WOXLPNAOCCIZGP-UHFFFAOYSA-RefChem:561882DTXCID6048838202-251-3InChI=1/C7H8ClNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3

Weitere Namen anzeigen

4-Chloro-o-anisidine (NH2=1)4-Chloro-2-methoxyaniline 98%4-chloro-2-methoxy-benzenamin4-Chloro-2-methoxybenzeneamine

4-Chloro-2-methoxy-phenylaminep-Chloro-o-anisidine2-Amino-5-chloroanisoleMFCD06801386(4-Chloro-2-methoxyphenyl)amine4-chloro-2-methoxyphenylamine1-Amino-4-chloro-2-methoxybenzene2-methoxy-4-chloroaniline

Datenbank-Bezeichner

CAS: 93-50-5
PubChem CID: 7143
DTXSID: DTXSID5059088
UNII: TV9MZ8W6NF
EC Number: 202-251-3
Nikkaji: J10.600C

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: 52 °C · 52°C
Siedepunkt: 260 °C · 260°C (rough estimate)
Dichte: 1.176 · 1.1760 (rough estimate)
Brechungsindex: 1.543 · 1.5430 (estimate)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 3.9 · 3.90±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Dark Brown
CAS Datenbank: 93 · 93-50-5(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzenamine, 4-chloro-2-methoxy- (93-50-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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.

Not Classified

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Skin Irrit. 2 (75%)；Skin Sens. 1 (25%)；Eye Irrit. 2A (75%)；STOT SE 3 (75%)；Aquatic Chronic 2 (25%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2921420090
risk_code: 43
hazard_code: Xi
hazard_note: Irritant/Keep Cold
safety_code: 36/37

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, 4-chloro-2-methoxy-: INACTIVE

Anwendungen

Verwenden4-Chloro-2-methoxyaniline is an important intermediate used for the synthesis of CXCR2 antagonists and some CD4-gp120 binding inhibitors.