6-Methyl-2-nitrobenzoic acid
Grundinformationen
- CAS
513506-76-8- Standard-SMILES
Cc1cccc([N+](=O)[O-])c1C(=O)O- InChIKey
CCXSGQZMYLXTOI-UHFFFAOYSA-N- Summenformel
- C8H7NO4
- Durchschnittliche Molmasse
- 181,15 g/mol
Überblick
2-methyl-6-nitrobenzoic acid appears as pale yellow needles or tan powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 6-Methyl-2-nitrobenzoic acid
- IUPAC
- 2-methyl-6-nitrobenzoic acid
- Englischer Name
- 2-Methyl-6-nitrobenzoicacid
- Molmasse
- 0
Namen und Synonyme
2-METHYL-6-NITROBENZOIC ACID13506-76-86-Nitro-o-toluic acid6-Methyl-2-nitrobenzoic acidBenzoic acid, 2-methyl-6-nitro-o-Toluic acid, 6-nitro-DTXSID7025639EINECS 236-833-3JM85Y56DX1DTXCID205639METHYL-6-NITROBENZOIC ACID, 2-RefChem:543836
Weitere Namen anzeigen
236-833-32-methyl-6-nitro-benzoic acidMFCD000072672-Nitro-6-methylbenzoic acid2-methyl-nitrobenzoic acidMLS002152875SMR0012244902-methyl-6-nitrobenzoicacid
Datenbank-Bezeichner
- CAS
513506-76-8- ChEMBL
CHEMBL1300395- UNII
- JM85Y56DX1
- EC Number
- 236-833-3
- Nikkaji
- J135.795F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 83,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 223
Experimentelle und physikochemische Eigenschaften
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point309 to 313 °F (NTP, 1992)
Physical Description2-methyl-6-nitrobenzoic acid appears as pale yellow needles or tan powder. (NTP, 1992)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupAcids, Carboxylic
Reactivity Profile
2-METHYL-6-NITROBENZOIC ACID is a nitrated carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry.
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