1,3,5-Trichloro-2-nitrobenzene - CAS 18708-70-8
Catalog: |
BB014393 |
Product Name: |
1,3,5-Trichloro-2-nitrobenzene |
CAS: |
18708-70-8 |
Synonyms: |
1,3,5-trichloro-2-nitrobenzene |
IUPAC Name: | 1,3,5-trichloro-2-nitrobenzene |
Description: | 1,3,5-Trichloro-2-nitrobenzene (CAS# 18708-70-8) is a building block for organic synthesis. |
Molecular Weight: | 226.44 |
Molecular Formula: | C6H2Cl3NO2 |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl |
InChI: | InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H |
InChI Key: | AEBJDOTVYMITIA-UHFFFAOYSA-N |
Boiling Point: | 303.2 °C at 760 mmHg |
Melting Point: | 160 °F |
Density: | 1.651 g/cm3 |
Appearance: | Needles in alcohol or light beige crystals. |
MDL: | MFCD00014690 |
LogP: | 4.07820 |
GHS Hazard Statement: | H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P302+P352, P304+P340, P311, P312, P314, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
RU-2752080-C1 | Method for obtaining 4,6-dinitro-5,7-dichlorobenzofuroxan | 20201221 |
WO-2021085653-A1 | 4-aminobut-2-enamide derivatives and salts thereof | 20191031 |
RU-2727654-C1 | Agent for complex effect on plants | 20190703 |
WO-2021002781-A1 | Agent for a combined effect on plants | 20190703 |
US-2020298212-A1 | Iron oxide supported rhodium catalyst for nitroarene reduction | 20190320 |
PMID | Publication Date | Title | Journal |
21968121 | 20111130 | Effects of chloride ion on degradation of Acid Orange 7 by sulfate radical-based advanced oxidation process: implications for formation of chlorinated aromatic compounds | Journal of hazardous materials |
20207092 | 20100905 | Survey and qualification of internal standards for quantification by 1H NMR spectroscopy | Journal of pharmaceutical and biomedical analysis |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.915111 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.915111 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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