2H-chromene-3-carboxylic acid

2H3 · 15N]-L-Cysteine · TIMTEC-BB SBB010135 · RARECHEM AL BE 1212 · IFLAB-BB F0918-2550 · 2H-Chromene-3-carboxylic acid · 2H-1-Benzopyran-3-carboxylic acid · 2H-chromene-3-carboxylic acid, 90+%

https://huagongshe.com/de/chemical/322304

Molekülstruktur von 2H-chromene-3-carboxylic acid

Identifikatoren & physikalische Daten

CAS No.	22649-28-1
Summenformel	C10H8O3
Durchschnittliche Molmasse	176,17 g/mol
Monoisotopische Masse	176,04734412 g/mol
SMILES	O=C(O)C1=Cc2ccccc2OC1
InChIKey	DEBZQUFVQZPPLC-UHFFFAOYSA-N
PubChem CID	322304
EC No.	673-853-5
DTXSID	DTXSID20313967

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	46,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	13
Formalladung	0
Komplexität	245
Schmelzpunkt	184-186°C
Siedepunkt	327.3±41.0 °C(Predicted)
Dichte	1.346±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	3.88±0.20(Predicted)
Aggregatzustand	solid
Farbe	Light orange to light brown
CAS Datenbank	22649-28-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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%)
Zollcode	2932990090
R-Sätze (R)	36/37/38-51-36-22
Gefahrensymbole	Xi,Xn
hazard_note	Harmful
Sicherheitshinweise (S)	26-36/37/39
Gefahrenklasse	IRRITANT

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HCID 322304Erstellt: 27. Oktober 2026

2H-chromene-3-carboxylic acid

https://huagongshe.com/de/chemical/322304

Identifikatoren & physikalische Daten

CAS No.	22649-28-1
Summenformel	C10H8O3
Durchschnittliche Molmasse	176,17 g/mol
Monoisotopische Masse	176,04734412 g/mol
SMILES	O=C(O)C1=Cc2ccccc2OC1
InChIKey	DEBZQUFVQZPPLC-UHFFFAOYSA-N
PubChem CID	322304
EC No.	673-853-5
DTXSID	DTXSID20313967

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	46,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	13
Formalladung	0
Komplexität	245
Schmelzpunkt	184-186°C
Siedepunkt	327.3±41.0 °C(Predicted)
Dichte	1.346±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	3.88±0.20(Predicted)
Aggregatzustand	solid
Farbe	Light orange to light brown
CAS Datenbank	22649-28-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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%)
Zollcode	2932990090
R-Sätze (R)	36/37/38-51-36-22
Gefahrensymbole	Xi,Xn
hazard_note	Harmful
Sicherheitshinweise (S)	26-36/37/39
Gefahrenklasse	IRRITANT