3,5-Diamino-1H-pyrazole-4-carbonitrile
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Grundinformationen
- CAS
6844-58-2- Standard-SMILES
N#Cc1c(N)n[nH]c1N- InChIKey
UKASYLSHAZSEEV-UHFFFAOYSA-N- Summenformel
- C4H5N5
- Durchschnittliche Molmasse
- 123,12 g/mol
- Monoisotopische Masse
- 123,05449518
Namen und Bezeichner
- Bevorzugter Name
- 3,5-Diamino-1H-pyrazole-4-carbonitrile
- IUPAC
- 3,5-diamino-1H-pyrazole-4-carbonitrile
- Englischer Name
- 1H-Pyrazole-4-carbonitrile, 3,5-diamino-
- Summenformel
- C4H5N5
- Molmasse
- 123.12
Namen und Synonyme
3,5-diamino-1H-pyrazole-4-carbonitrile6844-58-2DTXSID00557327RefChem:271545DTXCID705081091H-Pyrazole-4-carbonitrile, 3,5-diamino-MFCD147059943,5-Diamino-4-cyanopyrazoleSCHEMBL687312UKASYLSHAZSEEV-UHFFFAOYSA-N3,5-diaminopyrazole-4-carbonitrileGAA84458
Weitere Namen anzeigen
FD7155AKOS006340996CS-W021806AC-30774AS-49297SY240750DB-050195EN300-179851
Datenbank-Bezeichner
- CAS
6844-58-2- PubChem CID
- 14202141
- DTXSID
DTXSID00557327- EC Number
- 981-503-0
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 105 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 146
Physikochemische Eigenschaften
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- InChI
- InChI=1S/C4H5N5/c5-1-2-3(6)8-9-4(2)7/h(H5,6,7,8,9)
- InChIKey
- UKASYLSHAZSEEV-UHFFFAOYSA-N
- SMILES
- N1C(N)=C(C#N)C(N)=N1
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 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
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%)
Chemie und Industrie
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上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
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