1,2-Dichloro-4-methyl-5-nitrobenzene - CAS 7494-45-3
Catalog: |
BB035195 |
Product Name: |
1,2-Dichloro-4-methyl-5-nitrobenzene |
CAS: |
7494-45-3 |
Synonyms: |
1,2-dichloro-4-methyl-5-nitrobenzene; 1,2-dichloro-4-methyl-5-nitrobenzene |
IUPAC Name: | 1,2-dichloro-4-methyl-5-nitrobenzene |
Description: | 1,2-Dichloro-4-methyl-5-nitrobenzene (CAS# 7494-45-3) is used as a reagent in the synthesis of N-hydroxyindole-2-carboxylates as inhibitors of lactate dehydrogenase against cancer cell proliferation. 3,4-Dichloro-6-nitrotoluene is also used in the preparation of polyhalogenated quinoline C-nucleosides as potential antiviral agents.This compound is suitable for lactate dehydrogenase (LDH) related research. |
Molecular Weight: | 206.03 |
Molecular Formula: | C7H5Cl2NO2 |
Canonical SMILES: | CC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl |
InChI: | InChI=1S/C7H5Cl2NO2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,1H3 |
InChI Key: | AOTWCYSQDSKAQT-UHFFFAOYSA-N |
Boiling Point: | 277.1 °C at 760 mmHg |
Density: | 1.456 g/cm3 |
MDL: | MFCD01109847 |
LogP: | 3.73320 |
Publication Number | Title | Priority Date |
CN-112266326-A | Preparation method of dichlorotoluene nitride intermediate | 20201110 |
CN-112851493-A | Preparation method of 2,4, 5-trifluorophenylacetic acid | 20201110 |
WO-2021120890-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
WO-2021124222-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
WO-2019223548-A1 | 3-oxazolinone compound, preparation method therefor and pharmaceutical application thereof | 20180525 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.9697338 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.9697338 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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