3-Hydroxy-2-nitrobenzoic acid

Benzoic acid, hydroxynitro- · 3-HYDROXY-2-NITROBENZOIC ACID · 2-NITRO-3-HYDROXYBENZOIC ACID · 3-Hydroxy-2-nitrobenzoicAcid>Benzoic acid, 3-hydroxy-2-nitro- · 3-HYDROXY-2-NITROBENZOIC ACID, 98+%

https://huagongshe.com/de/chemical/293291

Molekülstruktur von 3-Hydroxy-2-nitrobenzoic acid

Identifikatoren & physikalische Daten

CAS No.	602-00-6
Summenformel	C7H5NO5
Durchschnittliche Molmasse	183,12 g/mol
Monoisotopische Masse	183,01677226 g/mol
SMILES	O=C(O)c1cccc(O)c1[N+](=O)[O-]
InChIKey	KPDBKQKRDJPBRM-UHFFFAOYSA-N
PubChem CID	293291
EC No.	676-645-2
DTXSID	DTXSID00975623

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	103
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	1
Schwere Atome	13
Formalladung	0
Komplexität	223
Schmelzpunkt	179-181°C
Siedepunkt	363°C
Dichte	1.631
Flammpunkt	167°C
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	2.07±0.10(Predicted)
Aggregatzustand	Solid
Farbe	Light Beige to Light Brown
BRN	2372248
InChI	InChI=1S/C7H5NO5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)
InChIKey	KPDBKQKRDJPBRM-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC=CC(O)=C1[N+]([O-])=O
CAS Datenbank	602-00-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]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 6 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 (16.7%)
Zollcode	29163990
R-Sätze (R)	36/37/38
Sicherheitshinweise (S)	26-36/37/39-37

Anwendungen & Verwendung

Verwenden

3-Hydroxy-2-nitrobenzoic Acid (cas# 602-00-6) is a compound useful in organic synthesis.