N-(Chloromethyl)-4-nitrophthalimide

Base Information

• Chemical Name: N-(Chloromethyl)-4-nitrophthalimide
• CAS No.: 54455-34-4
• Molecular Formula: C9H5 Cl N2 O4
• Molecular Weight: 240.6
• Hs Code.: 2925190090
• European Community (EC) Number: 677-141-5
• UNII: BLQ4YQ2FB6
• DSSTox Substance ID: DTXSID10202856
• Nikkaji Number: J207.989E
• Wikidata: Q83076185
• Mol file: 54455-34-4.mol

Synonyms:N-Chloromethyl-4-nitrophthalimide;54455-34-4;N-(Chloromethyl)-4-nitrophthalimide;54455-37-7;2-(Chloromethyl)-5-nitroisoindoline-1,3-dione;CCRIS 7992;2-(chloromethyl)-5-nitroisoindole-1,3-dione;4-Nitro-N-chloromethylphthalimide;2-(chloromethyl)-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione;2-chloromethyl-5-nitro-isoindole-1,3-dione;BLQ4YQ2FB6;SCHEMBL2210510;2-(Chloromethyl)-5-nitro-1H-isoindole-1,3(2H)-dione;DTXSID10202856;YXMUGXUCSVUONH-UHFFFAOYSA-N;MFCD00059889;SB64096;AS-66838;LS-188631;CS-0331820;FT-0740508;F88624;1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)-5-nitro-

Chemical Property of N-(Chloromethyl)-4-nitrophthalimide

Chemical Property:

• Vapor Pressure: 1.59E-06mmHg at 25°C
• Melting Point: 153.0 to 157.0 °C
• Boiling Point: 397.4°C at 760 mmHg
• Flash Point: 194.1°C
• PSA: 83.20000
• Density: 1.638g/cm³
• LogP: 1.84820
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 239.9937843
• Heavy Atom Count: 16
• Complexity: 354

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Chloromethyl-4-nitrophthalimide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCl
• Uses: N-Chloromethyl-4-nitrophthalimide can be used in analytical study as derivatization reagent for high-performance liquid chromatography of barbiturates and carboxylic acids.