CAS No.589-09-3,N-ALLYLANILINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	589-09-3
Name:	N-ALLYLANILINE
Article Data:	169

Formula:	C₉H₁₁N
Molecular Weight:	133.193
Synonyms:	Aniline,N-allyl- (6CI,7CI,8CI);Benzenamine, N-2-propenyl- (9CI);Allylphenylamine;N-(2-Propenyl)aniline;N-(2-Propenyl)benzenamine;N-Allyl-N-phenylamine;N-Allylaniline;N-Phenylallylamine;NSC 1967;
EINECS:	209-633-9
Density:	0.972 g/cm³
Boiling Point:	220.5 °C at 760 mmHg
Flash Point:	89.4 °C
Solubility:	Insoluble in water.
Appearance:	clear yellow to slightly red-brown liquid
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39-45
PSA:	12.03000
LogP:	2.35750

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Specification

The Benzenamine,N-2-propen-1-yl-, with the CAS registry number 589-09-3, is also known as N-(2-Propenyl)benzenamine. It belongs to the product categories of Acyclic; Alkenes; Organic Building Blocks. Its EINECS number is 209-633-9. This chemical's molecular formula is C₉H₁₁N and molecular weight is 133.19. What's more, its IUPAC name is N-prop-2-enylaniline.

Physical properties of Benzenamine,N-2-propen-1-yl- are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.17; (6)ACD/BCF (pH 7.4): 34.3; (7)ACD/KOC (pH 5.5): 422.61; (8)ACD/KOC (pH 7.4): 437.03; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 44.85 cm³; (15)Molar Volume: 136.9 cm³; (16)Polarizability: 17.78×10^-24cm³; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 0.972 g/cm³; (19)Flash Point: 89.4 °C; (20)Enthalpy of Vaporization: 45.69 kJ/mol; (21)Boiling Point: 220.5 °C at 760 mmHg; (22)Vapour Pressure: 0.113 mmHg at 25°C.

Preparation of Benzenamine,N-2-propen-1-yl-: this chemical can be prepared by prop-2-en-1-ol, aniline at the temperature of 80 °C. This reaction will need reagents Ti(OiPr)₄, MS 4 Angstroem and solvent benzene with the reaction time of 3 hours. This reaction will also need catalysts Pd(OAc)₂, PPh₃. The yield is about 95%.

Benzenamine,N-2-propen-1-yl- can be prepared by prop-2-en-1-ol, aniline at the temperature of 80 °C

Uses of Benzenamine,N-2-propen-1-yl-: it can be used to produce N-phenyl-2-methyl-2-phenyl-4-pentenylideneamine at the temperature of 80 °C. It will need reagents Pd(PPh₃), CF₃COOH and solvent benzene with the reaction time of 20 hours. The yield is about 86%.

Benzenamine,N-2-propen-1-yl- can be used to produce N-phenyl-2-methyl-2-phenyl-4-pentenylideneamine at the temperature of 80 °C

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCNC1=CC=CC=C1
(2)InChI: InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2
(3)InChIKey: LQFLWKPCQITJIH-UHFFFAOYSA-N