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HCID 606522Erstellt: 27. Oktober 2026

4-iodo-1H-imidazole

4-IODO-1H-IMIDAZOLE · 4(5)-IODOIMIDAZOLE · AKOS 91347 · 4-Iodimidazole · 4-IODOIMIDAZOLE · 4-lodoimidazole · 4(5)-IodoimidazoL · 4-Iodoimidazole, 90%

https://huagongshe.com/de/chemical/606522

Identifikatoren & physikalische Daten

CAS No.	71759-89-2
Summenformel	C3H3IN2
Durchschnittliche Molmasse	193,97 g/mol
Monoisotopische Masse	193,9341 g/mol
SMILES	Ic1cnc[nH]1
InChIKey	BHCMXJKPZOPRNN-UHFFFAOYSA-N
PubChem CID	606522
ChEMBL	CHEMBL5413522
EC No.	676-945-3
DTXSID	DTXSID80345704

Chemische & physikalische Eigenschaften

XLogP	0,5
Polarare Oberfläche (TPSA)	28,7
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	6
Formalladung	0
Komplexität	48
Schmelzpunkt	137-138°C
Siedepunkt	348.5±15.0 °C(Predicted)
Dichte	2.335±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit	Methanol (Slightly)
pKa (Säurekonstante)	11.46±0.10(Predicted)
Aggregatzustand	Solid
Farbe	White to Pale Yellow
BRN	1616
InChI	InChI=1S/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey	BHCMXJKPZOPRNN-UHFFFAOYSA-N
SMILES	C1NC(I)=CN=1
CAS Datenbank	71759-89-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 47 reports by companies from 7 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.
Hazard Classes and Categories	Acute Tox. 4 (85.1%)Skin Irrit. 2 (97.9%)Eye Irrit. 2A (97.9%)STOT SE 3 (95.7%)Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Zollcode	2933299090
R-Sätze (R)	36/37/38-41
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	26-36/37/39-39

CAS No.

71759-89-2

Summenformel

C3H3IN2

Durchschnittliche Molmasse

193,97 g/mol

Monoisotopische Masse

193,9341 g/mol

SMILES

Ic1cnc[nH]1

InChIKey

BHCMXJKPZOPRNN-UHFFFAOYSA-N

PubChem CID

606522

ChEMBL

CHEMBL5413522

EC No.

676-945-3

DTXSID

DTXSID80345704

Chemische & physikalische Eigenschaften

XLogP

0,5

Polarare Oberfläche (TPSA)

28,7

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

Schmelzpunkt

137-138°C

Siedepunkt

348.5±15.0 °C(Predicted)

Dichte

2.335±0.06 g/cm3(Predicted)

Lagerbedingungen

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C

Löslichkeit

Methanol (Slightly)

pKa (Säurekonstante)

11.46±0.10(Predicted)

Aggregatzustand

Solid

Farbe

White to Pale Yellow

BRN

1616

InChI

InChI=1S/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)

InChIKey

BHCMXJKPZOPRNN-UHFFFAOYSA-N

SMILES

C1NC(I)=CN=1

CAS Datenbank

71759-89-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 47 reports by companies from 7 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.

Hazard Classes and Categories

Acute Tox. 4 (85.1%)Skin Irrit. 2 (97.9%)Eye Irrit. 2A (97.9%)STOT SE 3 (95.7%)Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

Zollcode

2933299090

R-Sätze (R)

36/37/38-41

Gefahrensymbole

hazard_note

Irritant

Sicherheitshinweise (S)

26-36/37/39-39