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Basic Information
CAS No.: 5388-42-1
Name: 2,3-DIHYDRO-2-PHENYL-1H-ISOINDOL-1-OXO-ISOINDOLINE
Molecular Structure:
Molecular Structure of 5388-42-1 (2,3-DIHYDRO-2-PHENYL-1H-ISOINDOL-1-OXO-ISOINDOLINE)
Formula: C14H11 N O
Molecular Weight: 209.247
Synonyms: Phthalimidine,2-phenyl- (6CI,7CI,8CI); N-Phenylphthalimidine; NSC 97577
Density: 1.228g/cm3
Melting Point: 162.5°C
Boiling Point: 378.2°Cat760mmHg
Flash Point: 180.8°C
Safety: Poison by intravenous route. Experimental teratogenic and reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 20.31000
LogP: 2.91200
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Chemistry

Product Name: N-Phenylphthalimidine (CAS NO.5388-42-1)


Molecular Formula: C14H11NO
Molecular Weight: 209.26g/mol
Mol File: 5388-42-1.mol
Boiling point: 52.2 dyne/cm
Flash Point: 52.2 dyne/cm
Density: 52.2 dyne/cm
Surface Tension: 52.2 dyne/cm
Enthalpy of Vaporization: 52.2 dyne/cm
Vapour Pressure: 52.2 dyne/cm
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of N-Phenylphthalimidine (CAS NO.5388-42-1):
  IUPAC Name: 2-phenyl-3H-isoindol-1-one
  Canonical SMILES: C1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3
  InChI: InChI=1S/C14H11NO/c16-14-13-9-5-4-6-11(13)10-15(14)12-7-2-1-3-8-12/h1-9H,10H2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04554,

Safety Profile

Poison by intravenous route. Experimental teratogenic and reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

 N-Phenylphthalimidine , its CAS NO. is 5388-42-1, the synonyms are 5-21-08-00020 (Beilstein Handbook Reference) ; BRN 0149773 ; NSC 97577 ; Phthalimidine, 2-phenyl- ; 1H-Isoindol-1-one, 2,3-dihydro-2-phenyl- (9CI) .