CAS No.6913-92-4,1-Benzyl-2,5-dihydro-1H-pyrrole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6913-92-4
Name:	1-Benzyl-2,5-dihydro-1H-pyrrole
Article Data:	26

Formula:	C₁₁H₁₃N
Molecular Weight:	159.231
Synonyms:	3-Pyrroline,1-benzyl- (7CI,8CI);1-Benzyl-2,5-dihydro-1H-pyrrole;1-Benzyl-3-pyrroline;N-Benzyl-3-pyrroline;
EINECS:	-0
Density:	1.052 g/cm³
Boiling Point:	226.288 °C at 760 mmHg
Flash Point:	92.222 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-27-36/37/39-45
Transport Information:	UN 3267 8/PG 2
PSA:	3.24000
LogP:	1.99630

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Specification

The CAS register number of 1-Benzyl-2,5-dihydro-1H-pyrrole is 6913-92-4. It also can be called as 1H-Pyrrole,2,5-dihydro-1-(phenylmethyl)- and the IUPAC name about this chemical is 1-benzyl-2,5-dihydropyrrole. The molecular formula about this chemical is C₁₁H₁₃N and the molecular weight is 159.23. It belongs to the following product categories, such as pharmacetical; Building Blocks; Heterocyclic Building Blocks; Pyrrolines and so on.

Physical properties about 1-Benzyl-2,5-dihydro-1H-pyrrole are: (1)ACD/LogP: 2.11; (2)ACD/LogD (pH 7.4): 0.564; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 9.493; (7)#H bond acceptors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 3.24Å²; (10)Index of Refraction: 1.586; (11)Molar Refractivity: 50.784 cm³; (12)Molar Volume: 151.374 cm³; (13)Polarizability: 20.132x10^-24cm³; (14)Surface Tension: 43.34 dyne/cm; (15)Enthalpy of Vaporization: 46.283 kJ/mol; (16)Boiling Point: 226.288 °C at 760 mmHg; (17)Vapour Pressure: 0.083 mmHg at 25°C.

Preparation: this chemical can be prepared by diallyl-benzyl-amine. This reaction will need reagent 2,6-(i-PrO)₂-C₆H₃-N=Mo=CHC(Me)₂Ph and solvent benzene. The reaction time is 3 hour(s) with reaction temperature of 20 ℃. The yield is about 84%.

Uses of 1-Benzyl-2,5-dihydro-1H-pyrrole: it can be used to produce 1-benzyl-pyrrole. This reaction will need reagent PhIO/TMSN₃. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CN2CC=CC2
(2)InChI: InChI=1/C11H13N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-7H,8-10H2
(3)InChIKey: LRFHKHHUKGZIGE-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H13N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-7H,8-10H2
(5)Std. InChIKey: LRFHKHHUKGZIGE-UHFFFAOYSA-N