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HCID 97115Erstellt: 25. Oktober 2026

3,5-Dimethyl-4-iodo-1H-pyrazole

SALOR-INT L119644-1EA · LABOTEST-BB LT01148501 · 4-IODO-3,5-DIMETHYLPYRAZOLE · 3,5-DIMETHYL-4-IODOPYRAZOLE · 3,5-dimethyl-4-iodo-pyrazol · 3.5-Dimethyl-4-lodo pyrazole · Pyrazole, 3,5-dimethyl-4-iodo- · 4-Iodo-3,5-dimethylpyrazole>4-IODO-3,5-DIMETHYL-1H-PYRAZOLE

https://huagongshe.com/de/chemical/97115

Molekülstruktur von 3,5-Dimethyl-4-iodo-1H-pyrazole

Identifikatoren & physikalische Daten

CAS No.2033-45-6
SummenformelC5H7IN2
Durchschnittliche Molmasse222,03 g/mol
Monoisotopische Masse221,9654 g/mol
SMILESCc1n[nH]c(C)c1I
InChIKeyMZZXIXHKDJNBJQ-UHFFFAOYSA-N
PubChem CID97115
ChEMBLCHEMBL5192672
EC No.622-388-6
DTXSIDDTXSID30174228

Chemische & physikalische Eigenschaften

XLogP1,7
Polarare Oberfläche (TPSA)28,7
H-Brücken-Donoren1
H-Brücken-Akzeptoren1
Frei drehbare Bindungen0
Schwere Atome8
Formalladung0
Komplexität86
Schmelzpunkt136-140 °C
Siedepunkt297.3±35.0 °C(Predicted)
Dichte1.920±0.06 g/cm3(Predicted)
LagerbedingungenKeep in dark place,Sealed in dry,Room Temperature
Aggregatzustandpowder to crystal
pKa (Säurekonstante)14.11±0.50(Predicted)
FarbeWhite to Almost white
InChI1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKeyMZZXIXHKDJNBJQ-UHFFFAOYSA-N
SMILESCc1n[nH]c(C)c1I
CAS Datenbank2033-45-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.DangerH315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.There are 3 notifications provided by 40 of 41 reports by companies with hazard statement code(s).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.
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)Eye Dam. 1 (95.1%)STOT SE 3 (95.1%)
Wassergefährdungsklasse (WGK)3
Zollcode29331990
RTECS-Nr.UQ6517000
R-Sätze (R)37/38-41
Toxizitätmouse,LD50,intraperitoneal,550mg/kg (550mg/kg),Farmakologiya i Toksikologiya Vol. 25, Pg. 27, 1962.
GefahrensymboleXi
Sicherheitshinweise (S)24/25-39-26
GefahrenklasseIRRITANTEye Dam. 1Skin Irrit. 2STOT SE 3
Lagerklasse11 - Combustible Solids