4-Iodo-1-methyl-1H-pyrazole-5-carbonitrile

HCID 60136631

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Grundinformationen

CAS: 1354705-14-8
Standard-SMILES: Cn1ncc(I)c1C#N
InChIKey: DMBVBDZEWDWKPQ-UHFFFAOYSA-N
Summenformel: C5H4IN3
Durchschnittliche Molmasse: 233,01 g/mol
Monoisotopische Masse: 232,94499

Namen und Bezeichner

Bevorzugter Name: 4-Iodo-1-methyl-1H-pyrazole-5-carbonitrile
IUPAC: 4-iodo-1-methylpyrazole-5-carbonitrile
Englischer Name: 1H-Pyrazole-5-carbonitrile, 4-iodo-1-methyl-
Summenformel: C5H4IN3
Molmasse: 233.01

Namen und Synonyme

4-Iodo-1-methyl-1H-pyrazole-5-carbonitrile1354705-14-84-iodo-2-methylpyrazole-3-carbonitrileMFCD245395211H-Pyrazole-5-carbonitrile, 4-iodo-1-methyl-4-iodo-1-methylpyrazole-5-carbonitrile4-Iodo-2-methyl-2H-pyrazole-3-carbonitrileSCHEMBL16176810SCHEMBL17600247DMBVBDZEWDWKPQ-UHFFFAOYSA-NEEC70514EOS-61291

Weitere Namen anzeigen

SBB073995XH1114AKOS0159208334-iodo-2-methyl-pyrazole-3-carbonitrileAS-39827SY124535CS-00382214-Iodo--1-methyl-1H-pyrazol-5-carbonitrile

Datenbank-Bezeichner

CAS: 1354705-14-8
PubChem CID: 60136631
EC Number: 113-866-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 150

Physikochemische Eigenschaften

Siedepunkt: 335.1 · 335.1±27.0 °C(Predicted)
Dichte: 2.05 · 2.05±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: -2.43 · -2.43±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.