3-Nitro-2-butanol, mixture of isomers - CAS 6270-16-2
Catalog: |
BB031743 |
Product Name: |
3-Nitro-2-butanol, mixture of isomers |
CAS: |
6270-16-2 |
Synonyms: |
3-nitrobutan-2-ol |
IUPAC Name: | 3-nitrobutan-2-ol |
Description: | 3-Nitro-2-butanol, mixture of isomers (CAS# 6270-16-2 ) is a useful research chemical. |
Molecular Weight: | 119.12 |
Molecular Formula: | C4H9NO3 |
Canonical SMILES: | CC(C(C)O)[N+](=O)[O-] |
InChI: | InChI=1S/C4H9NO3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3 |
InChI Key: | OJVOGABFNZDOOZ-UHFFFAOYSA-N |
Boiling Point: | 55 ℃ / 0.5 mmHg (lit.) |
Density: | 1.1 g/cm3 |
LogP: | 0.55560 |
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 |
Publication Number | Title | Priority Date |
US-2021323947-A1 | Antiviral 1,3-di-oxo-indene compounds | 20200420 |
JP-2021089095-A | Heating device and heating system | 20191203 |
CN-107346095-B | Semiconductor process positive photoresist degumming liquid and application | 20170914 |
EP-3287454-A1 | Heterocyclic compound | 20150424 |
JP-6698633-B2 | Heterocyclic compound | 20150424 |
Complexity: | 87.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 119.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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