[4-(Phenylsulfanyl)phenyl]methanamine
Grundinformationen
- CAS
84212-05-5- Standard-SMILES
NCc1ccc(Sc2ccccc2)cc1- InChIKey
OEDXLXUXHSCZKP-UHFFFAOYSA-N- Summenformel
- C13H13NS
- Durchschnittliche Molmasse
- 215,32 g/mol
- Monoisotopische Masse
- 215,07687059
Namen und Bezeichner
- Bevorzugter Name
- [4-(Phenylsulfanyl)phenyl]methanamine
- IUPAC
- (4-phenylsulfanylphenyl)methanamine
Namen und Synonyme
[4-(phenylsulfanyl)phenyl]methanamine84212-05-5(4-phenylsulfanylphenyl)methanamine4-phenylthiobenzylamine4-phenylsulfanyl-benzylamineSCHEMBL921146OEDXLXUXHSCZKP-UHFFFAOYSA-NJDA21205AKOS009558436EN300-114785G42413Z429582962
Datenbank-Bezeichner
- CAS
84212-05-5- PubChem CID
- 12842469
- EC Number
- 123-504-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 51,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 169
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
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]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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 Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
4
Notizen zur Verbindung
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