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CAS No.: | 80866-96-2 |
---|---|
Name: | 2,6-dichloro-4-mesylaniline |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H7Cl2NO2S |
Molecular Weight: | 240.11 |
Synonyms: | 2,6-Dichloro-4-(methanesulfonyl)aniline;2,6-Dichloro-4-(methylsulfonyl)aniline;2,6-Dichloro-4-methylsulfonylaniline;2,6-Dichloro-4-mesylaniline; |
EINECS: | 279-599-8 |
Density: | 1.525 g/cm3 |
Melting Point: | 155-158 °C |
Boiling Point: | 414.7 °C at 760 mmHg |
Flash Point: | 204.6 °C |
PSA: | 68.54000 |
LogP: | 3.64110 |
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The Benzenamine,2,6-dichloro-4-(methylsulfonyl)-, with the CAS registry number 80866-96-2, is also known as 2,6-Dichloro-4-mesylaniline. Its EINECS number is 279-599-8. This chemical's molecular formula is C7H7Cl2NO2S and molecular weight is 240.11. What's more, its IUPAC name is 2,6-dichloro-4-methylsulfonylaniline.
Physical properties of Benzenamine,2,6-dichloro-4-(methylsulfonyl)- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.51; (6)ACD/BCF (pH 7.4): 53.51; (7)ACD/KOC (pH 5.5): 600.96; (8)ACD/KOC (pH 7.4): 600.96; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 53.46 cm3; (15)Molar Volume: 157.3 cm3; (16)Polarizability: 21.19×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.525 g/cm3; (19)Flash Point: 204.6 °C; (20)Enthalpy of Vaporization: 66.76 kJ/mol; (21)Boiling Point: 414.7 °C at 760 mmHg; (22)Vapour Pressure: 4.37E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)C1=CC(=C(C(=C1)Cl)N)Cl
(2)InChI: InChI=1S/C7H7Cl2NO2S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
(3)InChIKey: JMVVMLXAGZVYMB-UHFFFAOYSA-N