1-(3-Nitrophenyl)ethyl 3-((dimethoxyphosphinyl)oxy)-2-butenoate

Base Information

• Chemical Name: 1-(3-Nitrophenyl)ethyl 3-((dimethoxyphosphinyl)oxy)-2-butenoate
• CAS No.: 64011-86-5
• Molecular Formula: C14H18 N O8 P
• Molecular Weight: 359.27
• Nikkaji Number: J63.319D
• Mol file: 64011-86-5.mol

Synonyms:Shell SD-6838;SD 6838;ENT 25,746;64011-86-5;1-(3-Nitrophenyl)ethyl 3-((dimethoxyphosphinyl)oxy)-2-butenoate;2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-(3-nitrophenyl)ethyl ester;CROTONIC ACID, 3-HYDROXY-, alpha-METHYL-m-NITROBENZYL ESTER, DIMETHYL PHOSPHATE;2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, 1-(3-nitrophenyl)ethyl ester;C14H18NO8P;SD-6838;LS-55592

Chemical Property of 1-(3-Nitrophenyl)ethyl 3-((dimethoxyphosphinyl)oxy)-2-butenoate

Chemical Property:

• Vapor Pressure: 2.59E-07mmHg at 25°C
• Boiling Point: 421.5°C at 760 mmHg
• Flash Point: 208.7°C
• PSA: 126.69000
• Density: 1.311g/cm³
• LogP: 4.04350
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 359.07700353
• Heavy Atom Count: 24
• Complexity: 521

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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