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13906-90-6

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Basic Information
CAS No.: 13906-90-6
Name: 2-benzylaziridine
Article Data: 16
Molecular Structure:
Molecular Structure of 13906-90-6 (2-benzylaziridine)
Formula: C9H11N
Molecular Weight: 133.193
Synonyms: Aziridine,2-benzyl- (6CI,8CI);2-(Phenylmethyl)aziridine;2-Benzylaziridine;(R)-2-Benzylaziridine;
EINECS: 237-677-9
Density: 1.044 g/cm3
Boiling Point: 204.589 °C at 760 mmHg
Flash Point: 76.485 °C
PSA: 21.94000
LogP: 1.52970
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Specification

The 2-Benzylaziridine, with the CAS registry number 13906-90-6, is also known as Aziridine, 2-(phenylmethyl)-. Its EINECS number is 237-677-9. This chemical's molecular formula is C9H11N and formula weight is 133.19. What's more, its IUPAC name is called 2-benzylaziridine.

Physical properties of 2-Benzylaziridine: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 7.4): 0.56 ; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.568; (7)Molar Refractivity: 41.73 cm3; (8)Molar Volume: 127.5 cm3; (9)Surface Tension: 41.5 dyne/cm; (10)Density: 1.044 g/cm3; (11)Flash Point: 76.5 °C; (12)Enthalpy of Vaporization: 44.08 kJ/mol; (13)Boiling Point: 204.6 °C at 760 mmHg; (14)Vapour Pressure: 0.261 mmHg at 25°C.

Preparation: this chemical can be prepared by (+/-)-2-benzyl-1-tosylaziridine. This reaction is a kind of Elimination. It will need reagent sodium metal, naphthalene and solvent 1,2-dimethoxy-ethane. The reaction temperature is 80 ℃. The yield is about 89%.

Uses of 2-Benzylaziridine: it can be used to produce 4-(2-benzyl-aziridin-1-yl)-5-methoxy-[1,2]benzoquinone at ambient temperature. This reaction will need solvent acetonitrile with reaction time of 2 hours. The yield is about 95%.



You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(N1)CC2=CC=CC=C2
(2)InChI: InChI=1S/C9H11N/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9-10H,6-7H2
(3)InChIKey: LKQAJXTWYDNYHK-UHFFFAOYSA-N