4-Methylsulfonylphenylisothiocyanate
Grundinformationen
- CAS
15863-56-6- Standard-SMILES
CS(=O)(=O)c1ccc(N=C=S)cc1- InChIKey
VSEGGIPVCHEXNW-UHFFFAOYSA-N- Summenformel
- C8H7NO2S2
- Durchschnittliche Molmasse
- 213,3 g/mol
- Monoisotopische Masse
- 212,99182081
Namen und Bezeichner
- Bevorzugter Name
- 4-Methylsulfonylphenylisothiocyanate
- IUPAC
- 1-isothiocyanato-4-methylsulfonylbenzene
- Englischer Name
- 1-isothiocyanato-4-(methylsulfonyl)benzene
- Summenformel
- C8H7NO2S2
- Molmasse
- 213.28
Namen und Synonyme
15863-56-64-MethylsulfonylphenylisothiocyanateMFCD098008361-isothiocyanato-4-methylsulfonylbenzene1-isothiocyanato-4-methanesulfonylbenzene1-isothiocyanato-4-(methylsulfonyl)benzene4-(Methylsulfonyl)phenyl isothiocyanateBenzene, 1-isothiocyanato-4-(methylsulfonyl)-SCHEMBL2891113DTXSID50567911VSEGGIPVCHEXNW-UHFFFAOYSA-NAKOS000212144
Weitere Namen anzeigen
1-isothiocyanato4-methanesulfonylbenzene1-isothiocyanato-4-methylsulfonyl-benzeneSY3262421-Isothiocyanato-4-(methanesulfonyl)benzeneF035180
Datenbank-Bezeichner
- CAS
15863-56-6- PubChem CID
- 15078206
- DTXSID
DTXSID50567911- EC Number
- 185-213-8
- Nikkaji
- J3.664.846E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 87 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 304
Physikochemische Eigenschaften
- Schmelzpunkt
- 130 °C · 130 °C
- Siedepunkt
- 405.4 · 405.4±37.0 °C(Predicted)
- Dichte
- 1.28 · 1.28±0.1 g/cm3(Predicted)
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]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, 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%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H320
Chemie und Industrie
Anbieter4 Anbieter
上海君悦生物科技有限公司021-51370612 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Zugehörige Reaktionen
2
Notizen zur Verbindung
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