4-Hydroxy-3-nitrobenzonitrile - CAS 3272-08-0
Catalog: |
BB021381 |
Product Name: |
4-Hydroxy-3-nitrobenzonitrile |
CAS: |
3272-08-0 |
Synonyms: |
4-hydroxy-3-nitrobenzonitrile |
IUPAC Name: | 4-hydroxy-3-nitrobenzonitrile |
Description: | 4-Hydroxy-3-nitrobenzonitrile (CAS# 3272-08-0) is a useful research chemical. |
Molecular Weight: | 164.12 |
Molecular Formula: | C7H4N2O3 |
Canonical SMILES: | C1=CC(=C(C=C1C#N)[N+](=O)[O-])O |
InChI: | InChI=1S/C7H4N2O3/c8-4-5-1-2-7(10)6(3-5)9(11)12/h1-3,10H |
InChI Key: | INBLGVOPOSGVTA-UHFFFAOYSA-N |
Boiling Point: | 288.9 ℃ at 760 mmHg |
Melting Point: | 143-148 ℃ |
Purity: | 98 % |
Density: | 1.49 g/cm3 |
Appearance: | Yellow solid powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00070775 |
LogP: | 1.69528 |
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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.02219199 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.02219199 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 89.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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