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HCID 837893Erstellt: 27. Oktober 2026

2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine

2-(4-Bromophenyl)-6-methylimidazo[1,2-aa]pyridine · JR-6930, 2-(4-Bromophenyl)-6-methylH-imidazo[1,2-a]pyridine, 97%

https://huagongshe.com/de/chemical/837893

Molekülstruktur von 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine

Identifikatoren & physikalische Daten

CAS No.	1023-01-4
Summenformel	C14H11BrN2
Durchschnittliche Molmasse	287,15 g/mol
Monoisotopische Masse	286,01056 g/mol
SMILES	Cc1ccc2nc(-c3ccc(Br)cc3)cn2c1
InChIKey	OUTIKDPVXLJCLK-UHFFFAOYSA-N
PubChem CID	837893
ChEMBL	CHEMBL78765
EC No.	622-470-1
DTXSID	DTXSID40356932

Chemische & physikalische Eigenschaften

XLogP	4,5
Polarare Oberfläche (TPSA)	17,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	17
Formalladung	0
Komplexität	263
Löslichkeit	<0.3 [ug/mL] (The mean of the results at pH 7.4)
Schmelzpunkt	214-218 °C
Dichte	1.43±0.1 g/cm3(Predicted)
Lagerbedingungen	Store at room temperature
pKa (Säurekonstante)	6.78±0.50(Predicted)
Aggregatzustand	solid
InChI	1S/C14H11BrN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3
InChIKey	OUTIKDPVXLJCLK-UHFFFAOYSA-N
SMILES	Cc1ccc2nc(cn2c1)-c3ccc(Br)cc3

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): 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 43 reports by companies from 3 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 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
Wassergefährdungsklasse (WGK)	3
R-Sätze (R)	22-36/37/38
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-36
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

CAS No.

1023-01-4

Summenformel

C14H11BrN2

Durchschnittliche Molmasse

287,15 g/mol

Monoisotopische Masse

286,01056 g/mol

SMILES

Cc1ccc2nc(-c3ccc(Br)cc3)cn2c1

InChIKey

OUTIKDPVXLJCLK-UHFFFAOYSA-N

PubChem CID

837893

ChEMBL

CHEMBL78765

EC No.

622-470-1

DTXSID

DTXSID40356932

Chemische & physikalische Eigenschaften

XLogP

4,5

Polarare Oberfläche (TPSA)

17,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

263

Löslichkeit

<0.3 [ug/mL] (The mean of the results at pH 7.4)

Schmelzpunkt

214-218 °C

Dichte

1.43±0.1 g/cm3(Predicted)

Lagerbedingungen

Store at room temperature

pKa (Säurekonstante)

6.78±0.50(Predicted)

Aggregatzustand

solid

InChI

1S/C14H11BrN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3

InChIKey

OUTIKDPVXLJCLK-UHFFFAOYSA-N

SMILES

Cc1ccc2nc(cn2c1)-c3ccc(Br)cc3

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): 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 43 reports by companies from 3 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 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)

Wassergefährdungsklasse (WGK)

R-Sätze (R)

22-36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-36

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3