3-Nitro-1H-pyrazole-4-carbonitrile - CAS 39205-87-3
Catalog: |
BB053456 |
Product Name: |
3-Nitro-1H-pyrazole-4-carbonitrile |
CAS: |
39205-87-3 |
Synonyms: |
1H-Pyrazole-4-carbonitrile, 3-nitro-(9CI); 3-nitropyrazole-4-carbonitrile; 3-nitro-4-cyanopyrazole |
IUPAC Name: | 5-nitro-1H-pyrazole-4-carbonitrile |
Molecular Weight: | 138.08 |
Molecular Formula: | C4H2N4O2 |
Canonical SMILES: | C1=NNC(=C1C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C4H2N4O2/c5-1-3-2-6-7-4(3)8(9)10/h2H,(H,6,7) |
InChI Key: | BHWGVDFLAUBWLA-UHFFFAOYSA-N |
Boiling Point: | 468.3±30.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.6±0.1 g/cm3 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.01777532 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.01777532 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 98.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Oxygen Compounds
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS