1H-Pyrazole, 4,5-diamine-1-methyl-, sulfate (1:1)

HCID 21904571CAS 20055-01-0

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Grundinformationen

Standard-SMILES: Cn1ncc(N)c1N.O=S(=O)(O)O
InChIKey: CIMLJTZGZLWBJY-UHFFFAOYSA-N
Summenformel: C4H10N4O4S
Durchschnittliche Molmasse: 210,21 g/mol
Monoisotopische Masse: 210,04227599

Namen und Bezeichner

Bevorzugter Name: 1H-Pyrazole, 4,5-diamine-1-methyl-, sulfate (1:1)
IUPAC: 1-methylpyrazole-4,5-diamine;sulfuric acid
Englischer Name: 3,4-DiaMino-2-Methylpyrazole sulfate, 95%
Summenformel: C4H10N4O4S
Molmasse: 210.2116

Namen und Synonyme

20055-01-0RefChem:4389431H-Pyrazole, 4,5-diamine-1-methyl-, sulfate (1:1)836-860-61-Methyl-1H-pyrazole-4,5-diamine sulfate2-methylpyrazole-3,4-diamine;sulfuric acidMFCD280993304,5-diamino-1-methylpyrazole sulfate1H-Pyrazole-4,5-diamine, 1-methyl-, sulfate (1:1)1-Methyl-1H-pyrazole-45-diamine sulfate1-methyl-1H-pyrazole-4,5-diamine; sulfuric acid4,5-Diamino-1-methylpyrazole Sulfate; 4,5-Diamino-1-methylpyrazole Hydrosulfate

Weitere Namen anzeigen

2-methylpyrazole-3,4-diamine1-Methyl-1H-pyrazole-4,5-diamine sulphate3,4-DiaMino-2-Methylpyrazole sulfate, 95%1-Methyl-1H-pyrazole-4,5-diaminesulphate97%1-Methyl-1H-pyrazole-4,5-diamine sulphate 97%

1H-Pyrazole-4,5-diamine, 1-methyl-, sulfate1H-Pyrazole-4,5-diamine,SCHEMBL2912223AKOS024258870DS-86541-Methyl-1H-pyrazole-4,5-diaminesulfateDA-219992-methylpyrazole-3,4-diamine; sulfuric acid

Datenbank-Bezeichner

CAS: 20055-01-0
PubChem CID: 21904571
EC Number: 836-860-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 153 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 165

Physikochemische Eigenschaften

Schmelzpunkt: 198.5 °C · >198.5°C (dec.)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Heated)
Aggregatzustand: Solid
Farbe: Off-White to Pale Beige
Stabilität: Hygroscopic
CAS Datenbank: 20055 · 20055-01-0

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.