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7633-57-0

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Basic Information
CAS No.: 7633-57-0
Name: N-NITROSOINDOLINE
Article Data: 21
Molecular Structure:
Molecular Structure of 7633-57-0 (N-NITROSOINDOLINE)
Formula: C8H8N2O
Molecular Weight: 148.164
Synonyms: N-Nitrosoindolin;1-nitroso-2,3-dihydro-indole;N-nitrosoindoline;1-Nitrosoindoline;INDOLINE,1-NITROSO;1-nitroso-2,3-dihydro-1H-indole;1-Nitroso-indolin;
Density: 1.26g/cm3
Melting Point: 81.5°C
Boiling Point: 301.2°Cat760mmHg
Flash Point: 135.9°C
Safety: Poison by ingestion. Questionable carcinogen with experimental tumorigenic data. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
PSA: 32.67000
LogP: 1.79550
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Chemistry

Product Name: N-Nitrosoindoline (CAS NO.7633-57-0)


Molecular Formula: C8H8N2O
Molecular Weight: 148.18g/mol
Mol File: 7633-57-0.mol
Boiling point: 301.2 °C at 760 mmHg
Flash Point: 135.9 °C
Density: 1.26 g/cm3
Surface Tension: 51.3 dyne/cm
Enthalpy of Vaporization: 54.13 kJ/mol
Vapour Pressure: 0.00107 mmHg at 25°C
XLogP3-AA: 1.8
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of N-Nitrosoindoline (CAS NO.7633-57-0):
  IUPAC Name: 1-nitroso-2,3-dihydroindole
  Canonical SMILES: C1CN(C2=CC=CC=C21)N=O
  InChI: InChI=1S/C8H8N2O/c11-9-10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2 
  InChIKey: QVXPAHMYCSEIMA-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 320mg/kg (320mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.

Safety Profile

Poison by ingestion. Questionable carcinogen with experimental tumorigenic data. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.

Specification

 N-Nitrosoindoline , its CAS NO. is 7633-57-0, the synonyms are 5-20-06-00250 (Beilstein Handbook Reference) ; BRN 0132426 ; N-Nitrosoindolin ; Indoline, 1-nitroso- .