3,4-Dinitrophenol
Grundinformationen
- CAS
577-71-9- Standard-SMILES
O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]- InChIKey
AKLOLDQYWQAREW-UHFFFAOYSA-N- Summenformel
- C6H4N2O5
- Durchschnittliche Molmasse
- 184,11 g/mol
- Monoisotopische Masse
- 184,01202123
Namen und Bezeichner
- Bevorzugter Name
- 3,4-Dinitrophenol
- IUPAC
- 3,4-dinitrophenol
- Lokaler Name
- 3,4-Dinitrophenol
- Englischer Name
- 3,4-Dinitrophenol
- Summenformel
- C6H4N2O5
- Molmasse
- 184.11
Namen und Synonyme
3,4-DINITROPHENOLPhenol, 3,4-dinitro-3,4-Dinitrofenol3,4-DNP6,5-DinitrophenolCCRIS 31053,4-Dinitrofenol [Czech]EINECS 209-415-3BRN 1969398UNII-I108F156M4I108F156M4CHEBI:39358
Weitere Namen anzeigen
3,4-dinitro-pheno3,4-Dinitrophenol, wetted3,4-Dinitrophenol(wetted with water >15%)3,4-dinitrophenol moistened with water (H2O ~20%)3,4-Dinitrophenol Moistened with water, >=97.0% (HPLC)
DTXSID80206407PHENOL, .DELTA.-DINITRO-4-06-00-01384 (Beilstein Handbook Reference)RefChem:91233PHENOL, DELTA-DINITRO-DTXCID40128898209-415-3AKLOLDQYWQAREW-UHFFFAOYSA-N
Datenbank-Bezeichner
- CAS
577-71-9- PubChem CID
- 11348
- DTXSID
DTXSID80206407- ChEMBL
CHEMBL3347427- ChEBI
CHEBI:39358- UNII
- I108F156M4
- EC Number
- 209-415-3
- Nikkaji
- J53.756J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 112 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 220
Physikochemische Eigenschaften
- Schmelzpunkt
- 130 · 130-135 °C
- Siedepunkt
- 318.03 °C · 318.03°C (rough estimate)
- Dichte
- 1.672 · 1.6720
- Brechungsindex
- 1.4738 · 1.4738 (estimate)
- Löslichkeit
- 1 g/10 · dioxane: soluble1g/10 mL
- pka
- 5.35 · 5.35, 5.42(at 25℃)
- Farbe
- Light yellow needles
- BRN
- 1969398 · 1969398
- Major Application
- Lubricants, enzyme assay, antinerve agent, substrate for enzymes, in biotechnological process, for biosensor design
- InChI
- 1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H
- InChIKey
- AKLOLDQYWQAREW-UHFFFAOYSA-N
- SMILES
- Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O
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
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]；H311: Toxic in contact with skin [Danger Acute toxicity, dermal]；H331: Toxic if inhaled [Danger Acute toxicity, inhalation]；H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
Gefahrenhinweise
Regulatory InformationPhenol, 3,4-dinitro-: HSNO Approval: HSR005382 Approved with controls
Hazard Classes and Categories
Expl. 1.1 (50%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；STOT RE 2 (100%)；Aquatic Chronic 2 (100%)
Acute toxicity - category 3；Acute toxicity - category 3；Acute toxicity - category 3；Specific target organ toxicity (repeated exposure) - category 2；Hazardous to the aquatic environment (chronic) - category 2
Acute Tox. 3 *；Acute Tox. 3 *；Acute Tox. 3 *；STOT RE 2 *；Aquatic Chronic 2
Regulatorische Informationen
Regulatory InformationPhenol, 3,4-dinitro-: HSNO Approval: HSR005382 Approved with controls
Sicherheitsdaten
- wgk
- 3
Chemie und Industrie
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