6,8-Dichlorochromone-3-carboxaldehyde

AKOS B022467 · AKOS BBS-00006650 · TIMTEC-BB SBB003197 · RARECHEM AK HH 0032 · LABOTEST-BB LT00453344 · 6,8-DICHLORO-3-FORMYLCOUMARIN · 6,8-Dichloro-3-formylchromone · 6,8-Dichloro-3-formyl-4-chromone

https://huagongshe.com/de/chemical/522129

Molekülstruktur von 6,8-Dichlorochromone-3-carboxaldehyde

Identifikatoren & physikalische Daten

CAS No.	64481-10-3
Summenformel	C10H4Cl2O3
Durchschnittliche Molmasse	243,04 g/mol
Monoisotopische Masse	241,9537494 g/mol
SMILES	O=Cc1coc2c(Cl)cc(Cl)cc2c1=O
InChIKey	IHCCHRKNCOFDAJ-UHFFFAOYSA-N
PubChem CID	522129
ChEMBL	CHEMBL85493
EC No.	800-280-1
DTXSID	DTXSID60334858

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	43,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	15
Formalladung	0
Komplexität	327
Schmelzpunkt	169-174 °C
Siedepunkt	396.7±42.0 °C(Predicted)
Dichte	1.669±0.06 g/cm3(Predicted)
Aggregatzustand	Crystalline Powder
Farbe	Light yellow
InChI	1S/C10H4Cl2O3/c11-6-1-7-9(14)5(3-13)4-15-10(7)8(12)2-6/h1-4H
InChIKey	IHCCHRKNCOFDAJ-UHFFFAOYSA-N
SMILES	Clc1cc(Cl)c2OC=C(C=O)C(=O)c2c1
CAS Datenbank	64481-10-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (66.7%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29329900
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	37/39-26
Lagerklasse	11 - Combustible Solids

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HCID 522129Erstellt: 4. November 2026

6,8-Dichlorochromone-3-carboxaldehyde

https://huagongshe.com/de/chemical/522129

Identifikatoren & physikalische Daten

CAS No.	64481-10-3
Summenformel	C10H4Cl2O3
Durchschnittliche Molmasse	243,04 g/mol
Monoisotopische Masse	241,9537494 g/mol
SMILES	O=Cc1coc2c(Cl)cc(Cl)cc2c1=O
InChIKey	IHCCHRKNCOFDAJ-UHFFFAOYSA-N
PubChem CID	522129
ChEMBL	CHEMBL85493
EC No.	800-280-1
DTXSID	DTXSID60334858

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	43,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	15
Formalladung	0
Komplexität	327
Schmelzpunkt	169-174 °C
Siedepunkt	396.7±42.0 °C(Predicted)
Dichte	1.669±0.06 g/cm3(Predicted)
Aggregatzustand	Crystalline Powder
Farbe	Light yellow
InChI	1S/C10H4Cl2O3/c11-6-1-7-9(14)5(3-13)4-15-10(7)8(12)2-6/h1-4H
InChIKey	IHCCHRKNCOFDAJ-UHFFFAOYSA-N
SMILES	Clc1cc(Cl)c2OC=C(C=O)C(=O)c2c1
CAS Datenbank	64481-10-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (66.7%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29329900
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	37/39-26
Lagerklasse	11 - Combustible Solids