1-[(2-Methylphenyl)sulfanylmethyl]piperidine;2,4,6-trinitrophenol

Base Information

• Chemical Name: 1-[(2-Methylphenyl)sulfanylmethyl]piperidine;2,4,6-trinitrophenol
• CAS No.: 6631-91-0
• Molecular Formula: C19H22N4O7S
• Molecular Weight: 450.4656
• NSC Number: 57948
• DSSTox Substance ID: DTXSID50288876

Synonyms:6631-91-0;NSC57948;DTXSID50288876;NSC-57948;2,4,6-Trinitrophenol--1-{[(2-methylphenyl)sulfanyl]methyl}piperidine (1/1)

Chemical Property of 1-[(2-Methylphenyl)sulfanylmethyl]piperidine;2,4,6-trinitrophenol

Chemical Property:

• Vapor Pressure: 0.000514mmHg at 25°C
• Boiling Point: 303.6°Cat760mmHg
• Flash Point: 133.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 450.12092023
• Heavy Atom Count: 31
• Complexity: 469

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1SCN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

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