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| CAS No.: | 84237-38-7 |
|---|---|
| Name: | N'-NITROSONORNICOTINE |
| Molecular Structure: | |
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| Formula: | C9H11 N3 O |
| Molecular Weight: | 177.206 |
| Synonyms: | N’-NITROSONORNICOTINE;NNN;(+-)-1’-demethyl-1’-nitrosonicotine;(+-)-3-(1-nitroso-2-pyrrolidinyl)pyridine |
| Density: | 1.1669 (rough estimate) |
| Boiling Point: | 309.13°C (rough estimate) |
| Safety: | Confirmed carcinogen. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 45.56000 |
| LogP: | 1.83780 |
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Chemistry
Molecular Structure of (+-)-3-(1-Nitroso-2-pyrrolidinyl)pyridine (CAS NO. 84237-38-7):
IUPAC Name: 3-(1-Nitrosopyrrolidin-2-yl)pyridine
Molecular Formula: C9H11N3O
Molecular Weight: 177.203140 g/mol
XLogP3-AA: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 4
Canonical SMILES: C1CC(N(C1)N=O)C2=CN=CC=C2
InChI: InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2
InChIKey: XKABJYQDMJTNGQ-UHFFFAOYSA-N
Index of Refraction: 1.642
Molar Refractivity: 49.83 cm3
Molar Volume: 137.8 cm3
Surface Tension: 52.7 dyne/cm
Density: 1.28 g/cm3
Flash Point: 177.3 °C
Enthalpy of Vaporization: 59.2 kJ/mol
Boiling Point: 369.5 °C at 760 mmHg
Vapour Pressure of (+-)-3-(1-Nitroso-2-pyrrolidinyl)pyridine (CAS NO. 84237-38-7): 2.52E-05 mmHg at 25 °C
Consensus Reports
IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 37 ,1985,p. 241.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 37 ,1985,p. 241.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .
Safety Profile
Confirmed carcinogen. When heated to decomposition it emits toxic vapors of NOx.
Specification
(+-)-3-(1-Nitroso-2-pyrrolidinyl)pyridine with cas registry number of 84237-38-7 is also known as (+-)-1'-Demethyl-1'-nitrosonicotine ; (+-)-N'-Nitrosonornicotine ; Pyridine, 3-(1-nitroso-2-pyrrolidinyl)- ; Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, (+-)- .