1-(2-Nitrophenyl)ethanol - CAS 3205-25-2
Catalog: |
BB021145 |
Product Name: |
1-(2-Nitrophenyl)ethanol |
CAS: |
3205-25-2 |
Synonyms: |
1-(2-nitrophenyl)ethanol; 1-(2-nitrophenyl)ethanol |
IUPAC Name: | 1-(2-nitrophenyl)ethanol |
Description: | 1-(2-Nitrophenyl)ethanol (CAS# 3205-25-2) is a compound useful in organic synthesis. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC(C1=CC=CC=C1[N+](=O)[O-])O |
InChI: | InChI=1S/C8H9NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-6,10H,1H3 |
InChI Key: | DSDBYQDNNWCLHL-UHFFFAOYSA-N |
Boiling Point: | 319 °C at 760 mmHg |
Density: | 1.263 g/cm3 |
MDL: | MFCD02683380 |
LogP: | 2.17130 |
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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112661691-A | O-nitroacetophenol derivative and preparation method and application thereof | 20201231 |
WO-2021155288-A1 | Fibroblast activation protein (fap) - targeted antifibrotic therapy | 20200131 |
WO-2021155292-A1 | Fibroblast activation protein (fap) - targeted antifibrotic therapy | 20200131 |
WO-2021086982-A2 | Compounds for the identification of microbial classes and uses thereof | 20191028 |
CN-110835361-A | Sialic acid glycosyl donor and preparation method and application thereof | 20191021 |
PMID | Publication Date | Title | Journal |
17629516 | 20070701 | Spatial and temporal dynamics of T cell receptor signaling with a photoactivatable agonist | Immunity |
16520868 | 20060301 | A simple procedure for the photoregulation of chymotrypsin activity | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
15616689 | 20050101 | Photochemical reaction mechanisms of 2-nitrobenzyl compounds: 2-nitrobenzyl alcohols form 2-nitroso hydrates by dual proton transfer | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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