3-amino-5-methyl-1H-pyrazole-4-carbonitrile

HCID 227460CAS 1204294-67-6

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Grundinformationen

Standard-SMILES: Cc1[nH]nc(N)c1C#N
InChIKey: CRRHJAMDQMQGKG-UHFFFAOYSA-N
Summenformel: C5H6N4
Durchschnittliche Molmasse: 122,13 g/mol
Monoisotopische Masse: 122,05924621

Namen und Bezeichner

Bevorzugter Name: 3-amino-5-methyl-1H-pyrazole-4-carbonitrile
IUPAC: 3-amino-5-methyl-1H-pyrazole-4-carbonitrile
Englischer Name: 3-amino-5-methyl-1H-pyrazole-4-carbonitrile
Summenformel: C5H6N4
Molmasse: 122.13

Namen und Synonyme

5-amino-3-methyl-1H-pyrazole-4-carbonitrile3-Amino-5-methyl-1H-pyrazole-4-carbonitrile1204294-67-6RefChem:497416692-277-5868-093-85453-07-63-Amino-4-cyano-5-methylpyrazole5-Amino-4-cyano-3-methylpyrazole1H-Pyrazole-4-carbonitrile, 3-amino-5-methyl-NSC19055NSC 19055

Weitere Namen anzeigen

1H-?Pyrazole-?4-?carbonitrile, 5-?amino-?3-?methyl-5-amino-3-methyl-4,5-dihydro-1H-pyrazole-4-carbonitrile

3-Imino-5-methyl-2,3-dihydro-1H-pyrazole-4-carbonitrileMFCD02020550NSC-190551H-pyrazole-4-carbonitrile, 5-amino-3-methyl-WPSCU5VMS7C25SCHEMBL163701SCHEMBL1923507

Datenbank-Bezeichner

CAS: 1204294-67-6、5453-07-6
PubChem CID: 227460
DTXSID: DTXSID10202937
UNII: CU5VMS7C25
EC Number: 692-277-5、868-093-8
Nikkaji: J2.447.160H、J379.489J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 78,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 146

Physikochemische Eigenschaften

Siedepunkt: 429.4 · 429.4±45.0 °C(Predicted)
Dichte: 1.32 · 1.32±0.1 g/cm3(Predicted)
Aggregatzustand: solid
pka: 12.14 · 12.14±0.50(Predicted)
Farbe: Beige

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302+H312+H332 (96.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (96.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (96.7%): 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 (96.7%): 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 30 reports by companies from 3 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.