2-Methoxy-5-nitrobenzoic acid

HCID 284163CAS 40751-89-1

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Grundinformationen

Standard-SMILES: COc1ccc([N+](=O)[O-])cc1C(=O)O
InChIKey: CVZUPRDSNNBZLH-UHFFFAOYSA-N
Summenformel: C8H7NO5
Durchschnittliche Molmasse: 197,14 g/mol
Monoisotopische Masse: 197,03242232

Namen und Bezeichner

Bevorzugter Name: 2-Methoxy-5-nitrobenzoic acid
IUPAC: 2-methoxy-5-nitrobenzoic acid
Englischer Name: 2-METHOXY-5-NITROBENZOIC ACID
Summenformel: C8H7NO5
Molmasse: 197.14

Namen und Synonyme

2-Methoxy-5-nitrobenzoic acid40751-89-1DTXSID30300904RefChem:87858DTXCID10252038670-278-1CVZUPRDSNNBZLH-UHFFFAOYSA-NMFCD005279022-Methoxy-5-nitro-benzoic acid2-METHOXY-5-NITROBENZOICACIDNSC139931SCHEMBL1671926

Weitere Namen anzeigen

Benzoic acid, 2-methoxy-5-nitro-2-Methoxy-5-nitrobenzoic acid, 96%,2-Methoxy-5-nitrobenzoic acid≥ 98% (HPLC)

2-methoxy-5-nitro benzoic acidBBL035691STK498307AKOS000112213AB06422NSC 139931NSC-139931DS-13174

Datenbank-Bezeichner

CAS: 40751-89-1
PubChem CID: 284163
DTXSID: DTXSID30300904
EC Number: 670-278-1
Nikkaji: J1.845.851I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 92,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 236

Physikochemische Eigenschaften

Schmelzpunkt: 155 · 155-158℃
storage temp.: Sealed in dry,Room Temperature
CAS Datenbank: 40751 · 40751-89-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.