Phosphoric acid, dimethyl 3,5-dimethyl-4-nitrophenyl ester

Base Information

• Chemical Name: Phosphoric acid, dimethyl 3,5-dimethyl-4-nitrophenyl ester
• CAS No.: 50590-06-2
• Molecular Formula: C10H14NO6P
• Molecular Weight: 275.2
• DSSTox Substance ID: DTXSID30198626
• Nikkaji Number: J96.821H
• Wikidata: Q83071441
• ChEMBL ID: CHEMBL158876
• Mol file: 50590-06-2.mol

Synonyms:50590-06-2;Dimethyl 3,5-dimethyl-4-nitrophenyl phosphate;Phosphoric acid, dimethyl 3,5-dimethyl-4-nitrophenyl ester;Phosphoric acid 3,5-dimethyl-4-nitrophenyldimethyl ester;CHEMBL158876;DTXSID30198626;LS-107768;Phosphoric acid, 3,5-dimethyl-4-nitrophenyl dimethyl ester

Chemical Property of Phosphoric acid, dimethyl 3,5-dimethyl-4-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 0.000126mmHg at 25°C
• Boiling Point: 345.1°C at 760 mmHg
• Flash Point: 162.5°C
• PSA: 100.39000
• Density: 1.302g/cm³
• LogP: 3.51450
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 275.05587416
• Heavy Atom Count: 18
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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