4-Bromo-1-ethyl-1H-pyrazole

HCID 12565201CAS 71229-85-1

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Grundinformationen

Standard-SMILES: CCn1cc(Br)cn1
InChIKey: IPMSARLBJARXSC-UHFFFAOYSA-N
Summenformel: C5H7BrN2
Durchschnittliche Molmasse: 175,03 g/mol
Monoisotopische Masse: 173,97926

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-1-ethyl-1H-pyrazole
IUPAC: 4-bromo-1-ethylpyrazole
Englischer Name: 4-Bromo-1-ethyl-1H-pyrazole
Summenformel: C5H7BrN2
Molmasse: 175.03

Namen und Synonyme

4-bromo-1-ethyl-1H-pyrazole71229-85-1DTXSID10502742RefChem:290477DTXCID00453552690-424-84-bromo-1-ethylpyrazole1H-Pyrazole, 4-bromo-1-ethyl-MFCD082352521H-Pyrazole,4-bromo-1-ethyl-AKOS000302004CS-W003481

Weitere Namen anzeigen

Albb-0044311-ethyl-4-bromoimazole-Bromo-1-ethylpyrazole4-Bromo-1-ethyl-1H-pyrazole 95+%4-bromo-1-ethyl-1H-pyrazole(SALTDATA: FREE)

AB43826AS-19722EN300-55896F8882-40604-Bromo-1-ethyl(d5)-1H-pyrazole4-bromo-1-etA9342AM20100672

Datenbank-Bezeichner

CAS: 71229-85-1
PubChem CID: 12565201
DTXSID: DTXSID10502742
EC Number: 690-424-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 76

Physikochemische Eigenschaften

Siedepunkt: 108 °C/20mmHg · 108°C/20mmHg(lit.)
Dichte: 1.57 · 1.57±0.1 g/cm3(Predicted)
Brechungsindex: 1.517 to · 1.5170 to 1.5210
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
pka: 0.23 · 0.23±0.10(Predicted)
Farbe: Light orange to Yellow to Green
InChI: InChI=1S/C5H7BrN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChIKey: IPMSARLBJARXSC-UHFFFAOYSA-N
SMILES: N1(CC)C=C(Br)C=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.