Benzenamine,2,6-dichloro-4-(methylsulfonyl)- supplier

Name
2,6-dichloro-4-mesylaniline
EINECS 279-599-8
CAS No. 80866-96-2
Article Data2
CAS DataBase
Density 1.525 g/cm³
Solubility
Melting Point 155-158 °C
Formula C₇H₇Cl₂NO₂S
Boiling Point 414.7 °C at 760 mmHg
Molecular Weight 240.11
Flash Point 204.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dichloro-4-(methanesulfonyl)aniline;2,6-Dichloro-4-(methylsulfonyl)aniline;2,6-Dichloro-4-methylsulfonylaniline;2,6-Dichloro-4-mesylaniline;
PSA 68.54000
LogP 3.64110

Benzenamine,2,6-dichloro-4-(methylsulfonyl)- Specification

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

Product Name

2,6-dichloro-4-mesylaniline

Benzenamine,2,6-dichloro-4-(methylsulfonyl)- Specification

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