Name | 2-Methyl-4,6-dinitrophenol |
Synonyms | DNOC 4,6-DNOC C.I. 10310 4,6-Dinitro-o-cresol DNOC PESTANAL, 250 MG 2-methyl-4,5-dinitrophenol 4,6-Dinitro-2-methylphenol 2-Methyl-4,6-dinitrophenol 3,5-Dinitro-2-hydroxytoluene DNOC Styrene polymerisation retarder 4,6-Dinitro-2-methylphenol (2-Methyl-4,6-dinitrophenol) |
CAS | 534-52-1 |
EINECS | 208-601-1 |
InChI | InChI=1/C7H6N2O5/c1-4-2-5(8(11)12)6(9(13)14)3-7(4)10/h2-3,10H,1H3 |
Molecular Formula | C7H6N2O5 |
Molar Mass | 198.13 |
Density | 1.5928 (rough estimate) |
Melting Point | 83-85°C(lit.) |
Boling Point | 196°C 1012mm |
Flash Point | 11°C |
Water Solubility | slightly soluble |
Solubility | Solubility Sparingly soluble in water; readily soluble in ethanol, acetone, ether |
Vapor Presure | 5.2(x 10-5 mmHg) at 25 °C (Melnikov, 1971)5(x 10-5 mmHg) at 20 °C (ACGIH, 1986) |
Appearance | neat |
Color | Yellow prisms |
Exposure Limit | NIOSH REL: TWA 0.2 mg/m3, IDLH 5 mg/m3; OSHA PEL: TWA 0.2 mg/m3. |
Merck | 3279 |
BRN | 2054389 |
pKa | 4.42(at 25℃) |
Storage Condition | 0-6°C |
Refractive Index | 1.5460 (estimate) |
Risk Codes | R26/27/28 - Very toxic by inhalation, in contact with skin and if swallowed. R38 - Irritating to the skin R41 - Risk of serious damage to eyes R43 - May cause sensitization by skin contact R44 - Risk of explosion if heated under confinement R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R68 - Possible risk of irreversible effects R40 - Limited evidence of a carcinogenic effect R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
Safety Description | S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. |
UN IDs | UN 1598 6.1/PG 2 |
WGK Germany | 2 |
RTECS | GO9625000 |
Hazard Class | 6.1(a) |
Packing Group | II |
Toxicity | LD50 in rats (mg/kg): 25-40 orally, 200-600 dermally (Ben-Dyke) |
pH indicator color change ph range | Colorless (2.4) to yellow (3.8) |
Henry's Law Constant | 1.4(x 10-6 atm?m3/mol) at 25 °C (gas stripping-UV spectrophotometry, Warner et al., 1987) |
main applications | Explosives, fungicides, herbicides, insecticides, pesticides, antitumor agent |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
Use | Used as an intermediate in organic synthesis |
category | pesticide |
toxicity classification | highly toxic |
acute toxicity | oral-rat LD50: 7 mg/kg; Oral-mouse LD50: 21 mg/kg |
stimulation data | skin-rabbit 105 mg/9 days mild; Eye-rabbit 20 mg/24 hours moderate |
explosive hazard characteristics | pure dry chemical explosion; dust and air mixture explosion; closed heating explosion |
flammability hazard characteristics | flammability; fire scene decomposes toxic hydrogen chloride, nitrogen oxide gas |
storage and transportation characteristics | warehouse is low temperature, ventilated and dry; Store separately from oxidant |
fire extinguishing agent | water, carbon dioxide, foam, dry powder |
occupational standard | TWA 0.2 mg/m3; STEL 0.6 mg/m3 |
toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
immediate life-threatening and health concentration | 5 mg/m3 |