3,5-Dimethyl-4-nitropyrazole

HCID 146172CAS 14531-55-6
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Grundinformationen

Standard-SMILES
Cc1n[nH]c(C)c1[N+](=O)[O-]
InChIKey
OFQCJVVJRNPSET-UHFFFAOYSA-N
Summenformel
C5H7N3O2
Durchschnittliche Molmasse
141,13 g/mol
Monoisotopische Masse
141,05382646

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name
3,5-Dimethyl-4-nitropyrazole
IUPAC
3,5-dimethyl-4-nitro-1H-pyrazole
Englischer Name
3,5-Dimethyl-4-nitro-1H-pyrazole
Summenformel
C5H7N3O2
Molmasse
141.13

Namen und Synonyme

14531-55-63,5-Dimethyl-4-nitropyrazolePyrazole, 3,5-dimethyl-4-nitro-DTXSID50162980RefChem:91590DTXCID30854713,5-Dimethyl-4-nitro-1H-pyrazole1H-Pyrazole, 3,5-dimethyl-4-nitro-MFCD00052513BRN 01254745-23-05-00160 (Beilstein Handbook Reference)STK261358
Weitere Namen anzeigen
AKOS 90439AKOS B001468ART-CHEM-BB B001468TIMTEC-BB SBB0092173,5-DiMethyl-4-nitro3,5-Dimethyl-4-nitropyrazole>3,5-DIMETHYL-4-NITRO-1H-PYRAZOLE1H-Pyrazole,3,5-dimethyl-4-nitro-(9CI)
AKOS0002800393,5-Dimethyl-4-nitro-1H-pyrazole #D4425EN300-1700012B-076Z568557704-nitro-3,5-dimethyl-1H-pyrazole4-nitro-3,5-dimethyl-pyrazole

Datenbank-Bezeichner

CAS
14531-55-6
PubChem CID
146172
DTXSID
DTXSID50162980
EC Number
634-307-1
Nikkaji
J461.865C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
74,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
125 to · 125.0 to 129.0 °C
Siedepunkt
325 °C · 325°C(lit.)
Dichte
1.339 · 1.339±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Aggregatzustand
powder to crystal
pka
10.75 · 10.75±0.50(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (95.5%)

Sicherheitsdaten

hs_code
2933199090
RTECS-Nr.
UQ6585000
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenAs Pyrazoles compound, 3,5-Dimethyl-4-nitro-1H-pyrazole has the key structures in numerous compounds of therapeutic importance. Compounds containing this ring system are known to display diverse pharmacological activities, for example as antimalarial agents , anti-inflammatory agents, and against cardiovascular disease.[1]

Vor- und nachgelagerte Produkte

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南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
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上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

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