4-Chloro-3-nitro-1H-pyrazole - CAS 400752-98-9
Catalog: |
BB046919 |
Product Name: |
4-Chloro-3-nitro-1H-pyrazole |
CAS: |
400752-98-9 |
Synonyms: |
4-chloro-3-nitropyrazole; Chloronitropyrazole; 4-Chloro-3-nitro-2H-pyrazole; 1H-pyrazole, 4-chloro-3-nitro- |
IUPAC Name: | 4-chloro-5-nitro-1H-pyrazole |
Description: | 4-Chloro-3-nitro-1H-pyrazole (CAS# 400752-98-9 ) is a useful research chemical. |
Molecular Weight: | 147.52 |
Molecular Formula: | C3H2ClN3O2 |
Canonical SMILES: | C1=NNC(=C1Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C3H2ClN3O2/c4-2-1-5-6-3(2)7(8)9/h1H,(H,5,6) |
InChI Key: | KXSYKRYVQOBQJM-UHFFFAOYSA-N |
Boiling Point: | 337.6±22.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.7±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: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.983554 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.983554 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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