DNOC

4,6-Dinitro-o-cresol

HCID 10800

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Grundinformationen

CAS: 534-52-1
Standard-SMILES: Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIKey: ZXVONLUNISGICL-UHFFFAOYSA-N
Summenformel: C7H6N2O5
Durchschnittliche Molmasse: 198,134 g/mol
Monoisotopische Masse: 198,02767129

Namen und Bezeichner

Bevorzugter Name: 4,6-Dinitro-o-cresol
IUPAC: 2-Methyl-4,6-dinitrophenol
Lokaler Name: DNOC
Englischer Name: 2-Methyl-4,6-dinitrophenol
Summenformel: C7H6N2O5
Molmasse: 198.13

Namen und Synonyme

DNOCDNCDn4,6-DINITRO-O-CRESOLDinitrokivNitrofanAntinoninDinitrocresolDinitro-o-cresol

Datenbank-Bezeichner

CAS: 534-52-1
PubChem CID: 10800
DTXSID: DTXSID1022053
ChEMBL: CHEMBL419564
ChEBI: CHEBI:39349
UNII: 1604ZJR09T
EC Number: 208-601-1
Nikkaji: J3.289A

Eigenschaften

Physikochemische Eigenschaften

Schmelzpunkt: 83 · 83-85 °C(lit.)
Siedepunkt: 196 °C · 196°C 1012mm
Dichte: 1.5928 · 1.5928 (rough estimate)
Dampfdruck: 5.2 · 5.2(x 10-5 mmHg) at 25 °C (Melnikov, 1971)5(x 10-5 mmHg) at 20 °C (ACGIH, 1986)
Brechungsindex: 1.546 · 1.5460 (estimate)
Flammpunkt: 11 °C · 11 °C
storage temp.: 0 · 0-6°C
Löslichkeit: Solubility Sparingly soluble in water; readily soluble in ethanol, acetone, ether
Aggregatzustand: buffered aqueous solution
pka: 4.42 · 4.42(at 25℃)
Farbe: Yellow prisms
Biologische Quelle: rabbit
Wasserlöslichkeit: slightly soluble
Merck: 3279 · 3279
BRN: 2054389 · 2054389
Henry's Law Constant: 1.4 · 1.4(x 10-6 atmm3/mol) at 25 °C (gas stripping-UV spectrophotometry, Warner et al., 1987)
Major Application: Explosives, fungicides, herbicides, insecticides, pesticides, antitumor agent
InChI: 1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
InChIKey: ZXVONLUNISGICL-UHFFFAOYSA-N
SMILES: Cc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
CAS Datenbank: 534 · 534-52-1(CAS DataBase Reference)
NIST chemische Informationen: 2 · Phenol, 2-methyl-4,6-dinitro-(534-52-1)
EPA chemische Informationen: 4 · 4,6-Dinitro-o-cresol (534-52-1)

Sicherheit und Regulatorisches

Sicherheitsdaten

OEB: C
OEL: TWA: 0.2 mg/m3 [skin]
wgk: 2
IDLA: 5 mg/m3
tsca: TSCA listed
ridadr: UN 1598
RTECS-Nr.: GO9625000
risk_code: 26/27/28-38-41-43-44-50/53-68-40-39/23/24/25-23/24/25-11-52/53-51/53
Toxizität: LD50 in rats (mg/kg): 25-40 orally, 200-600 dermally (Ben-Dyke)
hazard_code: T+,N,T,F
safety_code: 36/37-45-60-61-16-7
hazard_class: 6.1
packing_group: II
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Giftige Stoffe Daten: 534-52-1(Hazardous Substances Data)
Hazard Classifications: Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Muta. 2Skin Irrit. 2Skin Sens. 1

Chemie und Industrie

Anwendungen

Verwenden2-Methyl-4,6-dinitrophenol can be used as dormant ovicidal spray for fruit trees (highly phytotoxic and cannot be used successfully on actively growing plants); herbicide; insecticide.