2-Chloro-3-hydroxybenzaldehyde

2-chloro-3-hydroxy- · Benzaldehyde, 2-chloro-3-hydroxy- · 2-Chloro-3-hydroxybenzaldehyde 97 · 2-Chloro-3-hydroxybenzaldehyde 97%

https://huagongshe.com/de/chemical/593376

Molekülstruktur von 2-Chloro-3-hydroxybenzaldehyde

Identifikatoren & physikalische Daten

CAS No.	56962-10-8
Summenformel	C7H5ClO2
Durchschnittliche Molmasse	156,56 g/mol
Monoisotopische Masse	155,99780708 g/mol
SMILES	O=Cc1cccc(O)c1Cl
InChIKey	SEEAPLJEIJXFFU-UHFFFAOYSA-N
PubChem CID	593376
EC No.	627-759-6
DTXSID	DTXSID50343939

Chemische & physikalische Eigenschaften

XLogP	1,7
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	10
Formalladung	0
Komplexität	127
Schmelzpunkt	139-143 °C (lit.)
Siedepunkt	245.0±20.0 °C(Predicted)
Dichte	1.404±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand	solid
pKa (Säurekonstante)	7.77±0.10(Predicted)
Farbe	Off-white to faint orange
InChI	1S/C7H5ClO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H
InChIKey	SEEAPLJEIJXFFU-UHFFFAOYSA-N
SMILES	[H]C(=O)c1cccc(O)c1Cl

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	2
UN-Transportnummer	UN 3077 9/PG 3
Zollcode	2913000090
R-Sätze (R)	22-37/38-41-50
Gefahrensymbole	Xn,N
Sicherheitshinweise (S)	26-36-60-61
Gefahrenklasse	9Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
Verpackungsgruppe	Ⅲ
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

2-chloro-3-hydroxy-Benzaldehyde is a versatile building block used in the preparation of positional isomers of NOSH-aspirin a dual nitric oxide and hydrogen sulfide releasing hybrid pharmaceutical.