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CAS No.: | 39891-09-3 |
---|---|
Name: | 2-Chloro-5-pyridineacetonitrile |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C7H5ClN2 |
Molecular Weight: | 152.583 |
Synonyms: | 2-Chloro-5-pyridineacetonitrile;2-Chloro-5-(cyanomethyl)pyridine;2-(6-Chloro-3-pyridinyl)acetonitrile; |
Density: | 1.262 g/cm3 |
Melting Point: | 49-54 °C |
Boiling Point: | 294.1 °C at 760 mmHg |
Flash Point: | 131.7 °C |
Hazard Symbols: | Xi,T |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 36.68000 |
LogP: | 1.80108 |
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The CAS register number of 2-Chloro-5-pyridineacetonitrile is 39891-09-3. It also can be called as 3-Pyridineacetonitrile,6-chloro- and the systematic name about this chemical is 2-Chloro-5-pyridineacetonitrile. The molecular formula about this chemical is C7H5ClN2 and the molecular weight is 152.58. It belongs to the following product categories which include Pyridine; Pyridines and so on.
Physical properties about 2-Chloro-5-pyridineacetonitrile are: (1)ACD/LogP: 0.63; (2)ACD/LogD (pH 5.5): 0.63; (3)ACD/LogD (pH 7.4): 0.63; (4)ACD/BCF (pH 5.5): 1.77; (5)ACD/BCF (pH 7.4): 1.77; (6)ACD/KOC (pH 5.5): 52.31; (7)ACD/KOC (pH 7.4): 52.31; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 36.68 Å2; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 38.7 cm3; (13)Molar Volume: 120.8 cm3; (14)Polarizability: 15.34x10-24cm3; (15)Surface Tension: 50.5 dyne/cm; (16)Flash Point: 131.7 °C; (17)Enthalpy of Vaporization: 53.37 kJ/mol; (18)Boiling Point: 294.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00166 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncc(cc1)CC#N
(2)InChI: InChI=1/C7H5ClN2/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3H2
(3)InChIKey: BLGUCBUETMYJTB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H5ClN2/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3H2
(5)Std. InChIKey: BLGUCBUETMYJTB-UHFFFAOYSA-N