Methyl 5-chloro-2-nitrobenzoate - CAS 51282-49-6
Catalog: |
BB027392 |
Product Name: |
Methyl 5-chloro-2-nitrobenzoate |
CAS: |
51282-49-6 |
Synonyms: |
methyl 5-chloro-2-nitrobenzoate |
IUPAC Name: | methyl 5-chloro-2-nitrobenzoate |
Description: | Methyl 5-chloro-2-nitrobenzoate (CAS# 51282-49-6) is a useful research chemical. |
Molecular Weight: | 215.59 |
Molecular Formula: | C8H6ClNO4 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3 |
InChI Key: | JGBJHRKCUKTQOE-UHFFFAOYSA-N |
Boiling Point: | 306.2 °C at 760 mmHg |
Purity: | 98.0 % (HPLC) |
Density: | 1.426 g/cm3 |
Appearance: | White to light yellow crystalline powder or chunks |
MDL: | MFCD00272139 |
LogP: | 2.55800 |
GHS Hazard Statement: | H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111362804-A | Process for preparing nitrobenzoic esters | 20181226 |
AU-2015308828-A1 | Novel sulfonylaminobenzamide compounds as anthelmintics | 20140829 |
AU-2015308828-B2 | Novel sulfonylaminobenzamide compounds as anthelmintics | 20140829 |
AU-2018204015-A1 | Novel sulfonylaminobenzamide compounds as anthelmintics | 20140829 |
AU-2018204015-B2 | Novel sulfonylaminobenzamide compounds as anthelmintics | 20140829 |
PMID | Publication Date | Title | Journal |
22199667 | 20111201 | Methyl 5-chloro-2-nitro-benzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.9985354 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.9985354 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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