6-bromo-4H-chromen-4-one

6-BROMO-4H-CHROMEN-4-ONE · 6-Bromo-4H-1-benzopyran-4-one · 6-bromone · 6-Bromochromone · 6-BROMOCHROMONE 98% · 6-Bromochromone >6-Bromochromone,98% · 6-Bromochromone, 97.5% · 6-bromo-1-benzopyran-4-one

https://huagongshe.com/de/chemical/548522

Molekülstruktur von 6-bromo-4H-chromen-4-one

Identifikatoren & physikalische Daten

CAS No.	51483-92-2
Summenformel	C9H5BrO2
Durchschnittliche Molmasse	225,04 g/mol
Monoisotopische Masse	223,94729 g/mol
SMILES	O=c1ccoc2ccc(Br)cc12
InChIKey	XVNBWGGBXOJIDR-UHFFFAOYSA-N
PubChem CID	548522
EC No.	679-542-0
DTXSID	DTXSID50338340

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	225
Schmelzpunkt	135-139 °C (dec.)(lit.)
Siedepunkt	306.0±42.0 °C(Predicted)
Dichte	1.688±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
Farbe	White to Light yellow
InChI	1S/C9H5BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKey	XVNBWGGBXOJIDR-UHFFFAOYSA-N
SMILES	Brc1ccc2OC=CC(=O)c2c1
CAS Datenbank	51483-92-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29329990
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	37/39-26-24/25
Lagerklasse	11 - Combustible Solids

HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 548522Erstellt: 2. November 2026

6-bromo-4H-chromen-4-one

https://huagongshe.com/de/chemical/548522

Identifikatoren & physikalische Daten

CAS No.	51483-92-2
Summenformel	C9H5BrO2
Durchschnittliche Molmasse	225,04 g/mol
Monoisotopische Masse	223,94729 g/mol
SMILES	O=c1ccoc2ccc(Br)cc12
InChIKey	XVNBWGGBXOJIDR-UHFFFAOYSA-N
PubChem CID	548522
EC No.	679-542-0
DTXSID	DTXSID50338340

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	225
Schmelzpunkt	135-139 °C (dec.)(lit.)
Siedepunkt	306.0±42.0 °C(Predicted)
Dichte	1.688±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
Farbe	White to Light yellow
InChI	1S/C9H5BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKey	XVNBWGGBXOJIDR-UHFFFAOYSA-N
SMILES	Brc1ccc2OC=CC(=O)c2c1
CAS Datenbank	51483-92-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29329990
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	37/39-26-24/25
Lagerklasse	11 - Combustible Solids