Basic information
- Name:
Pyridine,2,3-bis(chloromethyl)-
- CAS No.:
45754-12-9
- Molecular Structure:
- Formula:
- C7H7 Cl2 N
- Synonyms:
- 2,3-Bis(chloromethyl)pyridine;
- Density:
- 1.275 g/cm3
- Boiling Point:
- 264.48 ºC at 760 mmHg
- Flash Point:
- 139.294 ºC
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Specification
The Pyridine,2,3-bis(chloromethyl)-, with the cas registry number 45754-12-9, has the systematic name of 2,3-bis(chloromethyl)pyridine.
The characteristics of this kind of chemical are as follows: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 114; (8)ACD/KOC (pH 7.4): 115; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.89; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 43.875 cm3; (14)Molar Volume: 138.047 cm3; (15)Polarizability: 17.394 ×10-24 cm3; (16)Surface Tension: 42.237 dyne/cm; (17)Density: 1.275 g/cm3; (18)Flash Point: 139.294 °C; (19)Enthalpy of Vaporization: 48.21 kJ/mol; (20)Boiling Point: 264.48 °C at 760 mmHg; (21)Vapour Pressure: 0.016 mmHg at 25°C.
Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:ClCc1ncccc1CCl
(2)InChI:InChI=1/C7H7Cl2N/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,4-5H2
(3)InChIKey:FDHDTLFJPYRSBM-UHFFFAOYAK