n-Hexylphosphonic acid - CAS 4721-24-8
Catalog:
BB043731
Product Name:
n-Hexylphosphonic acid
CAS:
4721-24-8
Synonyms:
LABOTEST-BB LT00408920
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BB043731
25 g
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IUPAC Name: hexylphosphonic acid
Description: n-Hexylphosphonic acid (CAS# 4721-24-8 ) is a useful research chemical.
Molecular Weight: 166.16
Molecular Formula: C6H15O3P
Canonical SMILES: CCCCCCP(=O)(O)O
InChI: InChI=1S/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)
InChI Key: GJWAEWLHSDGBGG-UHFFFAOYSA-N
Boiling Point: 299.7°C at 760 mmHg
Melting Point: 108-110°C
Purity: 98 %
Density: 1.132 g/cm3
MDL: MFCD00013961
GHS Hazard Statement: H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement: P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501
Signal Word: Danger
Complexity: 118
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 166.07588133
Formal Charge: 0
Heavy Atom Count: 10
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 2
Isotope Atom Count: 0
Monoisotopic Mass: 166.07588133
Rotatable Bond Count: 5
Topological Polar Surface Area: 57.5
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.7
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