CAS 135237-01-3 2-(1H-Pyrazol-3-yl)acetonitrile (HCID 178510848)

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Grundinformationen

CAS: 135237-01-3
Standard-SMILES: N#CCc1cc[nH]n1
InChIKey: IGBOXGVHHSLXPE-UHFFFAOYSA-N
Summenformel: C5H5N3
Durchschnittliche Molmasse: 107,11 g/mol
Monoisotopische Masse: 107,04834717

Namen und Bezeichner

Bevorzugter Name: 2-(1H-Pyrazol-3-yl)acetonitrile
IUPAC: 2-(1H-pyrazol-5-yl)acetonitrile
Englischer Name: 2-(1H-Pyrazol-3-yl)acetonitrile
Summenformel: C5H5N3
Molmasse: 107.11

Namen und Synonyme

2-(1H-PYRAZOL-3-YL)ACETONITRILERefChem:451495801-784-4135237-01-33-PYRAZOLYLACETONITRILE2-(1H-pyrazol-5-yl)acetonitrileMFCD084361511H-PYRAZOLE-3-ACETONITRILE(1H-Pyrazol-5-yl)acetonitrileSCHEMBL2906685SCHEMBL14093282SCHEMBL18498684

Weitere Namen anzeigen

3-Cyanomethylpyrazole

(1H-Pyrazol-3-yl)-acetonitrileDTXSID90576067IGBOXGVHHSLXPE-UHFFFAOYSA-NKFA23701AKOS005362496AKOS015902766PB32609AS-31312

Datenbank-Bezeichner

CAS: 135237-01-3
PubChem CID: 15634681

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 52,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 112

Physikochemische Eigenschaften

Siedepunkt: 117 · 117-120 °C(Press: 0.4 Torr)
Dichte: 1.228 · 1.228±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 12.72 · 12.72±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): 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, P305+P354+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 2 reports by companies from 2 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.