4-Amino-2,6-dinitrotoluene - CAS 19406-51-0
Catalog: |
BB050486 |
Product Name: |
4-Amino-2,6-dinitrotoluene |
CAS: |
19406-51-0 |
Synonyms: |
3,5-Dinitro-4-methylaniline; 3,5-Dinitro-p-toluidine |
IUPAC Name: | 4-methyl-3,5-dinitroaniline |
Description: | 4-Amino-2,6-dinitrotoluene (CAS# 19406-51-0 ) is a useful research chemical. |
Molecular Weight: | 197.15 |
Molecular Formula: | C7H7N3O4 |
Canonical SMILES: | CC1=C(C=C(C=C1[N+](=O)[O-])N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3 |
InChI Key: | KQRJATLINVYHEZ-UHFFFAOYSA-N |
Boiling Point: | 382.6±37.0 °C (Predicted) |
Melting Point: | 171 °C |
Purity: | 95 % |
Density: | 1.497±0.06 g/cm3(Predicted) |
Appearance: | Solid |
Vapor Pressure: | 0.00004 [mmHg] |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H373 (100%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]; H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P260, P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.04365571 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.04365571 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 118 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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