Grundinformationen
- Standard-SMILES
Cc1cc(F)ccc1N- InChIKey
KMHLGVTVACLEJE-UHFFFAOYSA-N- Summenformel
- C7H8FN
- Durchschnittliche Molmasse
- 125,14 g/mol
- Monoisotopische Masse
- 125,06407742
Namen und Bezeichner
- Bevorzugter Name
- 4-Fluoro-2-methylaniline
- IUPAC
- 4-fluoro-2-methylaniline
- Lokaler Name
- 4-Fluor-o-toluidin
- Englischer Name
- 4-Fluoro-2-methylaniline
- Summenformel
- C7H8FN
- Molmasse
- 125.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
452-71-1- PubChem CID
- 67982
- DTXSID
DTXSID6060008- UNII
- P7D3BF9SJM
- EC Number
- 207-208-2
- Nikkaji
- J149.713H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 94
Physikochemische Eigenschaften
- Schmelzpunkt
- 14.2 °C · 14.2°C
- Siedepunkt
- 90 · 90-92 °C/16 mmHg (lit.)
- Dichte
- 1.126 g/mL · 1.126 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.537(lit.)
- Flammpunkt
- 190 °F · 190 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 4.51 · 4.51±0.10(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Light yellow to Yellow to Orange
- Wichte
- 1.126 · 1.126
- BRN
- 1931798 · 1931798
- InChI
- 1S/C7H8FN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
- InChIKey
- KMHLGVTVACLEJE-UHFFFAOYSA-N
- SMILES
- Cc1cc(F)ccc1N
- CAS Datenbank
- 452 · 452-71-1(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Benzenamine, 4-fluoro-2-methyl-(452-71-1)
- EPA chemische Informationen
- 4 · 4-Fluoro-2-methylaniline (452-71-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (10.2%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (89.8%): 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 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (89.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (10.2%): 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+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 49 reports by companies from 8 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
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29214300
- RTECS-Nr.
- CY0500000
- risk_code
- 20/21/22-36/37/38-23/24/25
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 26-36/37/39-45-36
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden4-Fluoro-2-methylaniline was used in the synthesis of 4-fluoro-N-[(E)-{7-methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}methylidene]-2-methylaniline.
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