5-Amino-4-cyanopyrazole

HCID 85515CAS 16617-46-2
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Grundinformationen

Standard-SMILES
N#Cc1cn[nH]c1N
InChIKey
FFNKBQRKZRMYCL-UHFFFAOYSA-N
Summenformel
C4H4N4
Durchschnittliche Molmasse
108,1 g/mol
Monoisotopische Masse
108,04359613

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name
5-Amino-4-cyanopyrazole
IUPAC
5-amino-1H-pyrazole-4-carbonitrile
Englischer Name
3-Amino-4-pyrazolecarbonitrile
Summenformel
C4H4N4
Molmasse
108.1

Namen und Synonyme

5-Amino-4-cyanopyrazoleRefChem:9299816617-46-25-amino-1H-pyrazole-4-carbonitrile3-Amino-4-pyrazolecarbonitrile3-Amino-1H-pyrazole-4-carbonitrile3-Amino-4-cyanopyrazole1204396-41-73-Aminopyrazole-4-carbonitrile1H-Pyrazole-4-carbonitrile, 3-amino-5-Aminopyrazole-4-carbonitrileMFCD00005237
Weitere Namen anzeigen
AKOS B016028BUTTPARK 29\04-77TIMTEC-BB SBB001871ART-CHEM-BB B016028Zaleplon Impurity 3
3-amino-4-cyano-1h-pyrazole4-cyano-5-aminopyrazolePyrazole-4-carbonitrile, 3-amino-Allopurinol Nitrile Impurity5-Amino-4-pyrazolecarbonitrileMFCD00067703NSC 449323-Aminopyrazole-4-nitrile

Datenbank-Bezeichner

CAS
16617-46-2
PubChem CID
85515
DTXSID
DTXSID9066091
UNII
OOB953S9X2
EC Number
240-665-6
Nikkaji
J25.251D、J25.252B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,1
Polarare Oberfläche (TPSA)
78,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
8

Physikochemische Eigenschaften

Schmelzpunkt
172 · 172-174 °C(lit.)
Siedepunkt
192.71 °C · 192.71°C (rough estimate)
Dichte
1.2722 · 1.2722 (rough estimate)
Brechungsindex
1.738 · 1.7380 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
DMSO (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301+H311+H331 (15.4%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 13 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (61.5%)

Sicherheitsdaten

F
10
wgk
3
tsca
TSCA listed
ridadr
3439
hs_code
29331990
risk_code
20/21/22-20/21-36/37/38

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Pyrazole-4-carbonitrile, 3-amino-: INACTIVE
Anwendungen · 2 Einträge

BeschreibungThe molecular structure of 3-Amino-4-pyrazolecarbonitrile contains a cyano structure and an active amino unit. Its solubility in water is low, but its solubility in alcoholic organic solvents is high. As an intermediate in organic synthesis and medicinal chemistry, 3-Amino-4-pyrazolecarbonitrile can synthesize drug molecules. For example, it can be used to synthesize the drug molecule zaleplon.

Verwenden3-Amino-4-pyrazolecarbonitrile has been a useful synthetic intermediate.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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