Grundinformationen
- CAS
2524-76-7- Standard-SMILES
CSc1cccc([N+](=O)[O-])c1- InChIKey
GBGVXOUUXAIELM-UHFFFAOYSA-N- Summenformel
- C7H7NO2S
- Durchschnittliche Molmasse
- 169,2 g/mol
- Monoisotopische Masse
- 169,01974964
Namen und Bezeichner
- Bevorzugter Name
- 1-(Methylthio)-3-nitrobenzene
- IUPAC
- 1-methylsulfanyl-3-nitrobenzene
- Lokaler Name
- 1-(Methylthio)-3-nitrobenzol
- Englischer Name
- 3-Nitro thioanisole
- Summenformel
- C7H7NO2S
- Molmasse
- 169.2
Namen und Synonyme
2524-76-71-(Methylthio)-3-nitrobenzeneEINECS 219-761-7NSC 53644DTXSID30179899RefChem:74724DTXCID40102390219-761-73-Nitrothioanisole1-(methylsulfanyl)-3-nitrobenzene3-NITRO THIOANISOLEMethyl(3-nitrophenyl)sulfane
Weitere Namen anzeigen
3-Nitrothioanosole3-NITRO THIOANSOLEMethyl(3-nitrophenyl)3-Nitrothioanisole>3-NITRO THIOANISOLE 98%MINMETHYL 3-NITROPHENYL SULFIDE1-Nitro-3-(methylthio)benzene
1-methylsulfanyl-3-nitrobenzeneMFCD00024501SCHEMBL1145909A817740AC-164403-nitro thioanisolNSC536441-(Methylthio)-3-n
Datenbank-Bezeichner
- CAS
2524-76-7- PubChem CID
- 75656
- DTXSID
DTXSID30179899- EC Number
- 219-761-7
- Nikkaji
- J192.010C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 71,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 146
Physikochemische Eigenschaften
- Schmelzpunkt
- 14 °C · 14 °C
- Siedepunkt
- 92 °C · 92 °C / 1mmHg
- Dichte
- 1.29 · 1.29
- Brechungsindex
- 1.616 to · 1.6160 to 1.6200
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Aggregatzustand
- clear liquid
- Farbe
- Light yellow to Yellow to Orange
- CAS Datenbank
- 2524 · 2524-76-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 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 (100%)；Skin Sens. 1 (97.5%)
Sicherheitsdaten
- hs_code
- 2930909899
- hazard_code
- Xi
- hazard_class
- IRRITANT, STENCH
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