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| CAS No.: | 4657-93-6 |
|---|---|
| Name: | 1,2-DIHYDROACENAPHTHYLEN-5-AMINE |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C12H11 N |
| Molecular Weight: | 169.226 |
| Synonyms: | 5-Acenaphthenamine(6CI); 1,2-Dihydro-5-acenaphthylenamine; 5-Aminoacenaphthene; NSC 137427 |
| Density: | 1.233g/cm3 |
| Melting Point: | 107.85°C |
| Boiling Point: | 364.3°Cat760mmHg |
| Flash Point: | 195.8°C |
| Safety: | Poison by intravenous route. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 26.02000 |
| LogP: | 3.10180 |
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Chemistry
Molecule structure of 5-Acenaphthenamine (CAS NO.4657-93-6):
IUPAC Name: 1,2-Dihydroacenaphthylen-5-amine
Molecular Weight: 169.22244 g/mol
Molecular Formula: C12H11N
Density: 1.233 g/cm3
Boiling Point: 364.3 °C at 760 mmHg
Flash Point: 195.8 °C
Index of Refraction: 1.75
Molar Refractivity: 55.89 cm3
Molar Volume: 137.1 cm3
Polarizability: 22.15×10-24 cm3
Surface Tension: 60.8 dyne/cm
Enthalpy of Vaporization: 61.04 kJ/mol
Vapour Pressure: 1.7E-05 mmHg at 25 °C
XLogP3: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Exact Mass: 169.089149
MonoIsotopic Mass: 169.089149
Topological Polar Surface Area: 26
Heavy Atom Count: 13
Complexity: 201
Canonical SMILES: C1CC2=CC=CC3=C(C=CC1=C23)N
InChI: InChI=1S/C12H11N/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5,13H2
InChIKey: JEUAWMJVEYFVNJ-UHFFFAOYSA-N
Product Categories: Naphthalene derivatives
Toxicity Data With Reference
| 1. | imp-mus TDLo:160 mg/kg:CAR | NEZAAQ Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. 24 (1969),263. | ||
| 2. | ivn-mus LD50:56 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#01911 . |
Consensus Reports
IARC Cancer Review: Group 3 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) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 16 (1978),p. 243.(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
Poison by intravenous route. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
Specification
5-Acenaphthenamine (CAS NO.4657-93-6) is also named as 1,2-Dihydro-5-acenaphthylenamine ; 3-12-00-03212 (Beilstein Handbook Reference) ; 5-Acenaphtheneamine ; 5-Acenaphthylenamine, 1,2-dihydro- ; 5-Aminoacenaphthene ; BRN 2094079 ; NSC 137427 ; 5-Acenaphthylenamine, 1,2-dihydro- (9CI) . 5-Acenaphthenamine (CAS NO.4657-93-6) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.