4-Pyridinemethanol,2,6-dichloro- supplier

Name
3,5-BIS(METHYLSULFONYL)ANILINE
EINECS
CAS No. 101990-69-6
Article Data12
CAS DataBase
Density 1.478 g/cm³
Solubility
Melting Point 0 °C
Formula C₆H₅Cl₂NO
Boiling Point 313.8 °C at 760 mmHg
Molecular Weight 178.018
Flash Point 143.6 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms (2,6-Dichloropyridin-4-yl)methanol;2,6-Dichloro-4-(hydroxymethyl)pyridine;2,6-Dichloro-4-pyridinemethanol;2,6-Dichloropyrid-4-ylcarbinol;3,5-Bis(methylsulfonyl)aniline;
PSA 33.12000
LogP 1.88070

4-Pyridinemethanol,2,6-dichloro- Specification

The systematic name of 4-Pyridinemethanol,2,6-dichloro- is (2,6-dichloropyridin-4-yl)methanol. With the CAS registry number 101990-69-6, it is also named as 3,5-Bis(methylsulfonyl)aniline. In addition, its molecular formula is C₆H₅Cl₂NO and its molecular weight is 178.02.

The other characteristics of 4-Pyridinemethanol,2,6-dichloro- can be summarized as: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.83; (6)ACD/BCF (pH 7.4): 2.83; (7)ACD/KOC (pH 5.5): 73.29; (8)ACD/KOC (pH 7.4): 73.29; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 40.58 cm³; (15)Molar Volume: 120.3 cm³; (16)Polarizability: 16.08×10^-24cm³; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.478 g/cm³; (19)Flash Point: 143.6 °C; (20)Melting Point: 0 °C; (21)Enthalpy of Vaporization: 58.58 kJ/mol; (22)Boiling Point: 313.8 °C at 760 mmHg; (23)Vapour Pressure: 0.000207 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1nc(Cl)cc(c1)CO
(2)InChI: InChI=1/C6H5Cl2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-2,10H,3H2
(3)InChIKey: YDGJTFCKLFLWFM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H5Cl2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-2,10H,3H2
(5)Std. InChIKey: YDGJTFCKLFLWFM-UHFFFAOYSA-N

Product Name

3,5-BIS(METHYLSULFONYL)ANILINE

4-Pyridinemethanol,2,6-dichloro- Specification

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