2-Chloro-3-nitrobenzoic acid - CAS 3970-35-2
Catalog: |
BB024088 |
Product Name: |
2-Chloro-3-nitrobenzoic acid |
CAS: |
3970-35-2 |
Synonyms: |
2-chloro-3-nitrobenzoic acid |
IUPAC Name: | 2-chloro-3-nitrobenzoic acid |
Description: | 2-Chloro-3-nitrobenzoic acid (CAS# 3970-35-2) is used in rapid, efficient and selective reduction of aromatic nitro compounds with hydrazine hydrate in the presence of the plain and supported platinum nanoparticles as catalysts as reactant/reagent. |
Molecular Weight: | 201.56 |
Molecular Formula: | C7H4ClNO4 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O |
InChI: | InChI=1S/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11) |
InChI Key: | JRQDVRIQJJPHEQ-UHFFFAOYSA-N |
Boiling Point: | 359.9 °C at 760 mmHg |
Density: | 1.602 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00007069 |
LogP: | 2.46960 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22511608 | 20120601 | Design and synthesis of new biprivileged molecular scaffolds: indolo-fused benzodiazepinyl/quinoxalinyl benzimidazoles | Chemistry, an Asian journal |
19852442 | 20091101 | Diversity-oriented synthesis of angular bis-benzimidazole derivatives under microwave irradiation | Journal of combinatorial chemistry |
11558589 | 20010901 | Synthesis and cytotoxic activity of benzophenanthrolinone analogues of acronycine | Chemical & pharmaceutical bulletin |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.9828853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.9828853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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