3-Methylthio-4H-1,2,4-triazole
Grundinformationen
- CAS
7411-18-9- Standard-SMILES
CSc1ncn[nH]1- InChIKey
QBQOOUMQVKQIQH-UHFFFAOYSA-N- Summenformel
- C3H5N3S
- Durchschnittliche Molmasse
- 115,161 g/mol
- Monoisotopische Masse
- 115,02041816
Namen und Bezeichner
- Bevorzugter Name
- 3-Methylthio-4H-1,2,4-triazole
- IUPAC
- 5-(Methylsulfanyl)-1H-1,2,4-triazole
- Englischer Name
- 3-Methylthio-4H-1,2,4-triazole
- Summenformel
- C3H5N3S
- Molmasse
- 115.16
Namen und Synonyme
BUTTPARK 82\04-722-methylthio-1,2,4-triazole3-(METHYLTHIO)-1,2,4-TRIAZOLE3-Methylthio-4H-1,2,4-triazole3-(Methylthio)-1H-1,2,4-triazole5-(methylthio)-1H-1,2,4-triazole1H-1,2,4-Triazole, 5-(methylthio)-5-methylsulfanyl-1H-1,2,4-triazole1H-1,2,4-Triazole,3-(methylthio)-(9CI)
Datenbank-Bezeichner
- CAS
7411-18-9- PubChem CID
- 575378
- DTXSID
DTXSID30341731- EC Number
- 671-507-8
- Nikkaji
- J132.886G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 66,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 58
Physikochemische Eigenschaften
- Schmelzpunkt
- 102 · 102-104
- Siedepunkt
- 293.58 · 293.580±23.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.35 · 1.350±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.28 · 9.280±0.20(predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
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)
Aggregated GHS information provided per 2 reports by companies from 2 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
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%)
Sicherheitsdaten
- hs_code
- 2933998090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemie und Industrie
Anbieter13 Anbieter
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梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
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DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
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