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497-56-3

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Basic Information
CAS No.: 497-56-3
Name: 3,5-DINITRO-ORTHO-CRESOL
Molecular Structure:
Molecular Structure of 497-56-3 (3,5-DINITRO-ORTHO-CRESOL)
Formula: C7H6 N2 O5
Molecular Weight: 198.15
Synonyms: o-Cresol,3,5-dinitro- (8CI); 2-Methyl-3,5-dinitrophenol; 3,5-Dinitro-o-cresol;4,6-Dinitro-2-hydroxytoluene; NSC 8734
Density: 1.55g/cm3
Melting Point: 85°C
Boiling Point: 350.8°Cat760mmHg
Flash Point: 158.2°C
Safety: Poison by subcutaneous route. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS and DINITRO-o-CRESOL; 3,5-DINITRO-p-CRESOL; 2,6-DINITRO-p-CRESOL; 4,6-DINITRO-m-CRESOL; 4,6-DINITRO-o-CRESOL AMMONIUM SALT; 4,6-DINITRO-o-CRESOL BARIUM DERIVATIVE; 4,6-DINITRO-o-CRESOL DIETHYLAMINE SALT; 4,6-DINITRO-o-CRESOL METHYLAMINE (1:1); 4,6-DINITRO-o-CRESOL MORPHOLINE (1:1); 4,6-DINITRO-o-CRESOL SODIUM SALT.
PSA: 111.87000
LogP: 2.56340
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Chemistry

Product Name: 3,5-Dinitro-o-cresol (CAS NO.497-56-3)


IUPAC: 2-Methyl-3,5-dinitrophenol
Molecular Formula: C7H6N2O5
Molecular Weight: 198.15g/mol
Mol File: 497-56-3.mol
Boiling point: 350.8 °C at 760 mmHg
Flash Point: 158.2 °C
Density: 1.55 g/cm3
Surface Tension: 70.8 dyne/cm
Enthalpy of Vaporization: 61.9 kJ/mol
Vapour Pressure: 2.12E-05 mmHg at 25°C 
XLogP3-AA: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 5

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo subcutaneous 20mg/kg (20mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 58, 1935.
pigeon LD50 intramuscular 6mg/kg (6mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 58, 1935.
rat LD50 intraperitoneal 24800ug/kg (24.8mg/kg)   British Journal of Experimental Pathology. Vol. 50, Pg. 277, 1969.
rat LD50 oral 25mg/kg (25mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 678, 1986.
rat LD50 skin 20mg/kg (20mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 678, 1986.
rat LD50 subcutaneous 12mg/kg (12mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 58, 1935.

Safety Profile

Poison by subcutaneous route. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS and DINITRO-o-CRESOL; 3,5-DINITRO-p-CRESOL; 2,6-DINITRO-p-CRESOL; 4,6-DINITRO-m-CRESOL; 4,6-DINITRO-o-CRESOL AMMONIUM SALT; 4,6-DINITRO-o-CRESOL BARIUM DERIVATIVE; 4,6-DINITRO-o-CRESOL DIETHYLAMINE SALT; 4,6-DINITRO-o-CRESOL METHYLAMINE (1:1); 4,6-DINITRO-o-CRESOL MORPHOLINE (1:1); 4,6-DINITRO-o-CRESOL SODIUM SALT.

Standards and Recommendations

NIOSH REL: (Dinitro-Ortho-Cresol) TWA 0.2 mg/m3

Specification

 3,5-Dinitro-o-cresol , its CAS NO. is 497-56-3, the synonyms are 3-06-00-01389 (Beilstein Handbook Reference) ; AI3-00158 ; BRN 2562551 ; CCRIS 3141 ; NSC 8734 ; Phenol, 2-methyl-3,5-dinitro- ; o-Cresol, 3,5-dinitro- .