Grundinformationen
- Standard-SMILES
CSc1cccc(N)c1[N+](=O)[O-]- InChIKey
SGHVTQWWVZBGFN-UHFFFAOYSA-N- Summenformel
- C7H8N2O2S
- Durchschnittliche Molmasse
- 184,22 g/mol
- Monoisotopische Masse
- 184,03064868
Namen und Bezeichner
- Bevorzugter Name
- 3-(Methylthio)-2-nitroaniline
- IUPAC
- 3-methylsulfanyl-2-nitroaniline
Namen und Synonyme
3-(methylthio)-2-nitroaniline351458-30-5SCHEMBL3025068SGHVTQWWVZBGFN-UHFFFAOYSA-N3-Methylsulfanyl-2-nitrophenylamineMFCD12911953AKOS017515846SY500384
Datenbank-Bezeichner
- CAS
351458-30-5- PubChem CID
- 10976155
- EC Number
- 172-577-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 97,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 171
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
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