3,5-Dinitrobenzyl chloride - CAS 74367-78-5
Catalog: |
BB035074 |
Product Name: |
3,5-Dinitrobenzyl chloride |
CAS: |
74367-78-5 |
Synonyms: |
1-(chloromethyl)-3,5-dinitrobenzene |
IUPAC Name: | 1-(chloromethyl)-3,5-dinitrobenzene |
Description: | 3,5-Dinitrobenzyl chloride (CAS# 74367-78-5) is a useful research chemical compound. |
Molecular Weight: | 216.58 |
Molecular Formula: | C7H5ClN2O4 |
Canonical SMILES: | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCl |
InChI: | InChI=1S/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2 |
InChI Key: | SMJODKZAFKWUJG-UHFFFAOYSA-N |
Boiling Point: | 373.4 °C at 760 mmHg |
Density: | 1.538 g/cm3 |
LogP: | 3.28820 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111393300-A | Novel method for synthesizing 3, 5-dinitrobenzyl chloride | 20200413 |
WO-2021066958-A1 | Inhibitor of btk and mutants thereof | 20191005 |
WO-2020247605-A1 | Compositions and methods for making hybrid polypeptides | 20190604 |
CN-109721617-A | A kind of preparation method of Tazobactam Sodium | 20190130 |
CN-109721617-B | Preparation method of tazobactam | 20190130 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.9937843 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.9937843 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 91.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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