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CAS No.: | 49850-15-9 |
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Name: | (2,3-DICHLORO-PHENYL)-ETHYL-AMINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H9Cl2N |
Molecular Weight: | 190.07 |
Synonyms: | 2,3-Dichloro-N-ethylaniline;2,3-Dichlorophenylethylamine;2,3-Dichloro-phenyl)-ethyl-amine; |
Density: | 1.273 g/cm3 |
Boiling Point: | 281.1 °C at 760 mmHg |
Flash Point: | 123.8 °C |
PSA: | 12.03000 |
LogP: | 3.49820 |
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The Benzenamine,2,3-dichloro-N-ethyl-, with the CAS registry number 49850-15-9, is also known as 2,3-Dichlorophenylethylamine. This chemical's molecular formula is C8H9Cl2N and molecular weight is 190.07. What's more, its systematic name is 2,3-dichloro-N-ethylaniline.
Physical properties of Benzenamine,2,3-dichloro-N-ethyl- are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 340.36; (6)ACD/BCF (pH 7.4): 340.83; (7)ACD/KOC (pH 5.5): 2258.39; (8)ACD/KOC (pH 7.4): 2261.5; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 50.28 cm3; (15)Molar Volume: 149.2 cm3; (16)Polarizability: 19.93×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.273 g/cm3; (19)Flash Point: 123.8 °C; (20)Enthalpy of Vaporization: 51.98 kJ/mol; (21)Boiling Point: 281.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00364 mmHg at 25°C.
Uses of Benzenamine,2,3-dichloro-N-ethyl-: it can be used to produce allyl-(2,3-dichloro-phenyl)-ethyl-amine at the temperature of 80 °C. It will need reagent potassium carbonate and solvent acetonitrile. The yield is about 77%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(NCC)cccc1Cl
(2)InChI: InChI=1S/C8H9Cl2N/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5,11H,2H2,1H3
(3)InChIKey: BJHDRDSESRROKS-UHFFFAOYSA-N