2,3-Dinitrophenol (HCID 6191)

Namen und Bezeichner

Bevorzugter Name: 2,3-Dinitrophenol
IUPAC: 2,3-dinitrophenol
Lokaler Name: 2,3-Dinitrophenol
Englischer Name: 2,3-DINITROPHENOL
Summenformel: C6H4N2O5
Molmasse: 184.11

Namen und Synonyme

2,3-DINITROPHENOL66-56-8Phenol, 2,3-dinitro-2,3-DNPDTXSID2075261NSC-156083735M30625HCHEBI:39354RefChem:81872DTXCID7044685200-628-725550-58-7

Weitere Namen anzeigen

2,3-dinitro-phenoDinitrophenol, 2,3-2,3-dinitrophenolmoistenedwithwater(h2o~20%)2,3-Dinitrophenol moistened with water, >=98.0% (HPLC)

2,3-Dinitrofenol [Czech]2,3-DinitrofenolCCRIS 3101EINECS 200-628-7NSC 156083BRN 2213580Phenol,3-dinitro-NSC156083

Datenbank-Bezeichner

CAS: 66-56-8
PubChem CID: 6191
DTXSID: DTXSID2075261
ChEMBL: CHEMBL3347393
ChEBI: CHEBI:39354
UNII: 735M30625H
EC Number: 200-628-7
Nikkaji: J53.754C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 112 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 220

Experimentelle und physikochemische Eigenschaften

Density1.681 @ 20°C

Melting Point144.5 °C

Vapor Pressure0.000012 [mmHg]

Physical DescriptionYellow needles or crystals

Physikochemische Eigenschaften

Schmelzpunkt: 141 · 141-145 °C
Siedepunkt: 329 ℃ · 329℃
Dichte: 1.65 · 1.650
Brechungsindex: 1.4738 · 1.4738 (estimate)
Flammpunkt: 151 ℃ · 151℃
Löslichkeit: Solubility Sparingly soluble in water; soluble in ethanol, ether
pka: 4.86 · 4.86, 4.96(at 25℃)
Farbe: Yellow needles
BRN: 2213580 · 2213580
Major Application: For biosensor design, drug delivery
InChI: 1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H
InChIKey: MHKBMNACOMRIAW-UHFFFAOYSA-N
SMILES: Oc1cccc(c1[N+]([O-])=O)[N+]([O-])=O
CAS Datenbank: 66 · 66-56-8
EPA chemische Informationen: 2 · Phenol, 2,3-dinitro- (66-56-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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

Hazards SummaryMay cause irritation, disruption of oxidative phosphorylation, liver injury, and dermatitis; Highly toxic by inhalation; Toxic by ingestion and skin absorption; [Aldrich MSDS] See Dinitrophenol.

Hazard Classes and Categories · 3 Einträge

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

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

1.5 [mg/m3]

13 [mg/m3]

75 [mg/m3]

Toxikologische Informationen

Adverse Effects · 1 Eintrag

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect；Other Poison - Uncoupler

Sicherheitsdaten

wgk: 3
ridadr: UN 1320 4.1/PG 1
RTECS-Nr.: SL2700000
risk_code: 23/24/25-33-51/53
hazard_code: T,N
safety_code: 28-37-45-61
hazard_class: 4.1
packing_group: I
Speicherklasse: 4.1B - Flammable solid hazardous materials
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2Expl. 1.1STOT RE 2

Chemie und Industrie

Verwendung und Herstellung

UsesA minor constituent of commercial dinitrophenol mixtures, which are used to make dyes, wood preservatives, photographic developers, explosives, insecticides, and other chemicals; [ATSDR ToxProfiles]