4-Cyanophenylphosphonic acid - CAS 16672-78-9
Catalog: |
BB043434 |
Product Name: |
4-Cyanophenylphosphonic acid |
CAS: |
16672-78-9 |
Synonyms: |
(4-cyanophenyl)phosphonicacid; 4-CYANOPHENYLPHOSPHONICACID; 16672-78-9; NSC129453; 4-Phosphonobenzonitrile; AC1L5PLY |
IUPAC Name: | (4-cyanophenyl)phosphonic acid |
Description: | 4-Cyanophenylphosphonic acid (CAS# 16672-78-9 ) is a useful research chemical. |
Molecular Weight: | 183.11 |
Molecular Formula: | C7H6NO3P |
Canonical SMILES: | C1=CC(=CC=C1C#N)P(=O)(O)O |
InChI: | InChI=1S/C7H6NO3P/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11) |
InChI Key: | VRNGJVDKKRAVFE-UHFFFAOYSA-N |
Boiling Point: | 439.6 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.51 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.00853005 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.00853005 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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