Grundinformationen
- Standard-SMILES
O=S(=O)(c1ccc(N=C=S)cc1)N1CCOCC1- InChIKey
UXOOJOCKROBTEH-UHFFFAOYSA-N- Summenformel
- C11H12N2O3S2
- Durchschnittliche Molmasse
- 284,4 g/mol
- Monoisotopische Masse
- 284,0289346
Namen und Bezeichner
- Bevorzugter Name
- 4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine
- IUPAC
- 4-(4-isothiocyanatophenyl)sulfonylmorpholine
- Englischer Name
- 4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine
- Summenformel
- C11H12N2O3S2
- Molmasse
- 284.35
Namen und Synonyme
4-[(4-isothiocyanatophenyl)sulfonyl]morpholine100060-98-84-(4-isothiocyanatobenzenesulfonyl)morpholine4-(4-isothiocyanatophenyl)sulfonylmorpholineMFCD031473284-[(4-Isothiocyanatobenzene)sulphonyl]morpholineOprea1_320644SCHEMBL1805850UXOOJOCKROBTEH-UHFFFAOYSA-NHMS1722K08ALBB-003109BBL017972
Weitere Namen anzeigen
Morpholine, 4-[(4-isothiocyanatophenyl)sulfonyl]-
STK502603AKOS000122276VS-066264-(morpholinosulfonyl)phenyl isothiocyanateEN300-01234G22566SR-01000037791SR-01000037791-1
Datenbank-Bezeichner
- CAS
100060-98-8- PubChem CID
- 3725513
- EC Number
- 155-831-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 99,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 412
Physikochemische Eigenschaften
- Siedepunkt
- 464.6 · 464.6±55.0 °C(Predicted)
- Dichte
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- -8.02 · -8.02±0.20(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]；H319 (100%): Causes serious eye irritation [Warning 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, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2934999090
Chemie und Industrie
Anbieter2 Anbieter
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
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