4-Nitroacetanilide - CAS 104-04-1
Catalog: |
BB001312 |
Product Name: |
4-Nitroacetanilide |
CAS: |
104-04-1 |
Synonyms: |
N-(4-nitrophenyl)acetamide |
IUPAC Name: | N-(4-nitrophenyl)acetamide |
Description: | 4-Nitroacetanilide (CAS# 104-04-1) is a useful research chemical compound. |
Molecular Weight: | 180.16 |
Molecular Formula: | C8H8N2O3 |
Canonical SMILES: | CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11) |
InChI Key: | NQRLPDFELNCFHW-UHFFFAOYSA-N |
Boiling Point: | 408.9 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.34 g/cm3 |
Appearance: | Yellow to yellow-tan powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00007303 |
LogP: | 2.14940 |
GHS Hazard Statement: | H315 (97.73%): 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 |
22101784 | 20120501 | Cloning and characterization of a novel amidase from Paracoccus sp. M-1, showing aryl acylamidase and acyl transferase activities | Applied microbiology and biotechnology |
22302495 | 20120315 | Improved accuracy in high-temperature conversion elemental analyzer δ18O measurements of nitrogen-rich organics | Rapid communications in mass spectrometry : RCM |
21073421 | 20100801 | A new acylamidase from Rhodococcus erythropolis TA37 can hydrolyze N-substituted amides | Biochemistry. Biokhimiia |
20396964 | 20100501 | Molecular characterization of a novel bacterial aryl acylamidase belonging to the amidase signature enzyme family | Molecules and cells |
18942140 | 20090301 | A novel aryl acylamidase from Nocardia farcinica hydrolyses polyamide | Biotechnology and bioengineering |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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