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CAS No.: | 13519-80-7 |
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Name: | 4-Chloro-N-allylaniline |
Article Data: | 43 |
Molecular Structure: | |
Formula: | C9H10ClN |
Molecular Weight: | 167.638 |
Synonyms: | Aniline,N-allyl-p-chloro- (8CI);Benzenamine, 4-chloro-N-2-propenyl- (9CI);N-Allyl-4-chloroaniline;N-Allyl-p-chloroaniline;NSC 73155;4-Chloro-N-(prop-2-en-1-yl)aniline; |
Density: | 1.125 g/cm3 |
Boiling Point: | 272.9 °C at 760 mmHg |
Flash Point: | 118.9 °C |
PSA: | 12.03000 |
LogP: | 3.01090 |
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The Benzenamine,4-chloro-N-2-propen-1-yl-, with the CAS registry number 13519-80-7, is also known as N-Allyl-4-chloroaniline. This chemical's molecular formula is C9H10ClN and molecular weight is 167.64. What's more, its systematic name is 4-chloro-N-(prop-2-en-1-yl)aniline.
Physical properties of Benzenamine,4-chloro-N-2-propen-1-yl- are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.582; (8)Molar Refractivity: 49.74 cm3; (9)Molar Volume: 148.9 cm3; (10)Polarizability: 19.72×10-24cm3; (11)Surface Tension: 38.3 dyne/cm; (12)Density: 1.125 g/cm3; (13)Flash Point: 118.9 °C; (14)Enthalpy of Vaporization: 51.13 kJ/mol; (15)Boiling Point: 272.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0059 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(NC\C=C)cc1
(2)InChI: InChI=1S/C9H10ClN/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6,11H,1,7H2
(3)InChIKey: MFBBLCDOQHNWPL-UHFFFAOYSA-N