1-Methyl-4-nitro-1H-pyrazol-3-ol - CAS 1458593-78-6
Catalog: |
BB051465 |
Product Name: |
1-Methyl-4-nitro-1H-pyrazol-3-ol |
CAS: |
1458593-78-6 |
Synonyms: |
1-Methyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one; 3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-4-nitro- |
IUPAC Name: | 2-methyl-4-nitro-1H-pyrazol-5-one |
Molecular Weight: | 143.10 |
Molecular Formula: | C4H5N3O3 |
Canonical SMILES: | CN1C=C(C(=O)N1)[N+](=O)[O-] |
InChI: | InChI=1S/C4H5N3O3/c1-6-2-3(7(9)10)4(8)5-6/h2H,1H3,(H,5,8) |
InChI Key: | FERLTMWGMBPYCM-UHFFFAOYSA-N |
Boiling Point: | 264.6±20.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.7±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.03309103 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.03309103 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS