2-Chloro-4-nitrobenzoic acid - CAS 99-60-5
Catalog: |
BB042316 |
Product Name: |
2-Chloro-4-nitrobenzoic acid |
CAS: |
99-60-5 |
Synonyms: |
2-chloro-4-nitrobenzoic acid |
IUPAC Name: | 2-chloro-4-nitrobenzoic acid |
Description: | 2-Chloro-4-nitrobenzoic acid (CAS# 99-60-5) is a useful research chemical. |
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/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11) |
InChI Key: | QAYNSPOKTRVZRC-UHFFFAOYSA-N |
Boiling Point: | 362.2 °C at 760 mmHg |
Purity: | 99 % |
Density: | 1.602 g/cm3 |
Appearance: | Light yellow to light green crystalline powder |
MDL: | MFCD00007209 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22292983 | 20120201 | Chemotaxis of Burkholderia sp. strain SJ98 towards chloronitroaromatic compounds that it can metabolise | BMC microbiology |
22347007 | 20120201 | 3-Bromo-pyridin-2-amine | Acta crystallographica. Section E, Structure reports online |
22701692 | 20120101 | Metabolism of 2-chloro-4-nitrophenol in a gram negative bacterium, Burkholderia sp. RKJ 800 | PloS one |
22199737 | 20111201 | 4-Chloro-2-nitro-benzoic acid-pyrazine (2/1) | Acta crystallographica. Section E, Structure reports online |
22219919 | 20111101 | 2-Chloro-4-nitro-benzoic acid-quinoline (1/1) | Acta crystallographica. Section E, Structure reports online |
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: | 2 |
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