Grundinformationen
- Standard-SMILES
COc1ccc(Cl)c(N)c1- InChIKey
GBOUQGUQUUPGLO-UHFFFAOYSA-N- Summenformel
- C7H8ClNO
- Durchschnittliche Molmasse
- 157,6 g/mol
- Monoisotopische Masse
- 157,0294416
Namen und Bezeichner
- Bevorzugter Name
- 6-Chloro-m-anisidine
- IUPAC
- 2-chloro-5-methoxyaniline
- Englischer Name
- 2-Chloro-5-methoxyaniline
- Summenformel
- C7H8ClNO
- Molmasse
- 157.6
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2401-24-3- PubChem CID
- 75460
- DTXSID
DTXSID70178745- UNII
- 8UQ785S8U6
- EC Number
- 219-277-6
- Nikkaji
- J160.869J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 35,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 110
Physikochemische Eigenschaften
- Schmelzpunkt
- 207 °C · 207 °C (dec.)(lit.)
- Siedepunkt
- 135 · 135-137°C 12mm
- Dichte
- 1.261 g/mL · 1.261 g/mL at 25 °C
- Brechungsindex
- 1.5848 · 1.5848
- Flammpunkt
- 135 · 135-137°C/12mm
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- powder to lump to clear liquid
- pka
- 2.23 · 2.23±0.10(Predicted)
- Farbe
- White or Colorless to Yellow to Orange
- Wasserlöslichkeit
- Slightly soluble in water.
- BRN
- 2082193 · 2082193
- InChI
- InChI=1S/C7H8ClNO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
- InChIKey
- GBOUQGUQUUPGLO-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(OC)=CC=C1Cl
- CAS Datenbank
- 2401 · 2401-24-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (14.9%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (14.9%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (85.1%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (10.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, 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 47 reports by companies from 7 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
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2811
- hs_code
- 2922290090
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,T,Xn
- safety_code
- 26-37/39-36-36/37
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 13 - Non Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2-Chloro-5-methoxyaniline is used in the preparation of 4-amino-5-chloro-2-methoxyphenyl thiocyanate.
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