Grundinformationen
- Standard-SMILES
Cc1ccc(N=C=O)s1- InChIKey
TYOUGUHTXIYXLR-UHFFFAOYSA-N- Summenformel
- C6H5NOS
- Durchschnittliche Molmasse
- 139,18 g/mol
- Monoisotopische Masse
- 139,00918496
Namen und Bezeichner
- Bevorzugter Name
- 2-Isocyanato-5-methylthiophene
- IUPAC
- 2-isocyanato-5-methylthiophene
- Englischer Name
- 5-Methyl-thiphene-2-isocyanate
- Summenformel
- C6H5NOS
- Molmasse
- 139.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
76536-99-7- PubChem CID
- 11629619
- DTXSID
DTXSID80469676- EC Number
- 880-181-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 57,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 142
Physikochemische Eigenschaften
- Aggregatzustand
- Liquid
- CAS Datenbank
- 76536 · 76536-99-7
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];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, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 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
Sicherheitsdaten
- hs_code
- 2929100090
Chemie und Industrie
Anwendungen
Verwenden5-Methyl-thiphene-2-isocyanate is used in the preparation of p38 kinase inhibitors.
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