5-Chloro-1,3-dimethylpyrazole

HCID 521507

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Grundinformationen

CAS: 54454-10-3
Standard-SMILES: Cc1cc(Cl)n(C)n1
InChIKey: DDUSLFAWARYAPR-UHFFFAOYSA-N
Summenformel: C5H7ClN2
Durchschnittliche Molmasse: 130,57 g/mol
Monoisotopische Masse: 130,0297759

Namen und Bezeichner

Bevorzugter Name: 5-Chloro-1,3-dimethylpyrazole
IUPAC: 5-chloro-1,3-dimethylpyrazole
Englischer Name: 5-Chloro-1,3-dimethylpyrazole
Summenformel: C5H7ClN2
Molmasse: 130.58

Namen und Synonyme

5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-35-Chloro-1,3-dimethylpyrazoleDTXSID30334663RefChem:534237DTXCID40285753611-147-01H-Pyrazole, 5-chloro-1,3-dimethyl-MFCD000516501,3-dimethyl-5-chloropyrazoleSCHEMBL21061SCHEMBL297897

Weitere Namen anzeigen

orb3030332SCHEMBL141282725-Chlorode-1,3-dimethylpyrazoleBUTTPARK 82\11-55Fr14024STR06047SBB0544325-Chloro-1,3-dimethylpyrazole,98%

Datenbank-Bezeichner

CAS: 54454-10-3
PubChem CID: 521507
DTXSID: DTXSID30334663
EC Number: 611-147-0
Nikkaji: J3.112.081K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 86

Physikochemische Eigenschaften

Siedepunkt: 60 · 60-62 °C (15 mmHg)
Dichte: 1 · 1,137 g/cm3
Brechungsindex: 1.485 · 1.485-1.487
Flammpunkt: 153 · 153-155°C
Löslichkeit: Chlorform
Aggregatzustand: Liquid
pka: 1.48 · 1.48±0.10(Predicted)
Farbe: Clear light yellow
BRN: 113451 · 113451
CAS Datenbank: 54454 · 54454-10-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (14.3%): Flammable liquid and vapor [Warning Flammable liquids]；H227 (14.3%): Combustible liquid [Warning Flammable liquids]；H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (71.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (14.3%)；Flam. Liq. 4 (14.3%)；Acute Tox. 4 (28.6%)；Skin Irrit. 2 (71.4%)；Eye Irrit. 2A (71.4%)；STOT SE 3 (71.4%)