3-Nitrobenzamide - CAS 645-09-0
Catalog: |
BB032487 |
Product Name: |
3-Nitrobenzamide |
CAS: |
645-09-0 |
Synonyms: |
3-nitrobenzamide |
IUPAC Name: | 3-nitrobenzamide |
Description: | 3-Nitrobenzamide (CAS# 645-09-0) is a useful research chemical. |
Molecular Weight: | 166.13 |
Molecular Formula: | C7H6N2O3 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N |
InChI: | InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10) |
InChI Key: | KWAYEPXDGHYGRW-UHFFFAOYSA-N |
Boiling Point: | 310-315 °C |
Melting Point: | 288.9 °F |
Density: | 1.431 g/cm3 |
Solubility: | less than 0.1 mg/mL at 64 °F |
Appearance: | Yellow powder. |
MDL: | MFCD00007984 |
LogP: | 1.91720 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112859517-A | Photosensitive resin composition and application thereof | 20201225 |
CN-111909038-A | Preparation method of phenylenediamine | 20200820 |
EP-3896521-A1 | Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component | 20200414 |
US-2021317268-A1 | Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component | 20200414 |
CN-111018720-A | Method for preparing m-phenylenediamine | 20191216 |
PMID | Publication Date | Title | Journal |
19919049 | 20100302 | Charge-transfer interaction between poly(9-vinylcarbazole) and 3,5-dinitrobenzamido group or 3-nitrobenzamido group | Langmuir : the ACS journal of surfaces and colloids |
19072688 | 20090108 | Discovery of potent thermolysin inhibitors using structure based virtual screening and binding assays | Journal of medicinal chemistry |
19689377 | 20090101 | IRAK-4 inhibitors for inflammation | Current topics in medicinal chemistry |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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