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3-Chloro-4-methylpyridine

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Name

3-Chloro-4-methylpyridine

EINECS N/A
CAS No. 72093-04-0 Density 1.15 g/cm3
PSA 12.89000 LogP 2.04340
Solubility N/A Melting Point N/A
Formula C6H6ClN Boiling Point 175.6 °C at 760 mmHg
Molecular Weight 127.573 Flash Point 74.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-39 Risk Codes 36/37/38-41-37/38-22
Molecular Structure Molecular Structure of 72093-04-0 (3-CHLORO-4-METHYLPYRIDINE) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

4-Picoline,3-chloro- (6CI);3-Chloro-4-methylpyridine;3-Chloro-4-picoline;

Article Data 4

3-Chloro-4-methylpyridine Specification

The IUPAC name of 3-Chloro-4-methylpyridine is 3-chloro-4-methylpyridine. With the CAS registry number 72093-04-0, it is also named as Pyridine,3-chloro-4-methyl-. The product's categories are Pharmacetical; Pyridines; C6 Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. In addition, its molecular formula is C6H6ClN and molecular weight is 127.57.

The other characteristics of 3-Chloro-4-methylpyridine can be summarized as: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.27; (6)ACD/BCF (pH 7.4): 20.53; (7)ACD/KOC (pH 5.5): 298.83; (8)ACD/KOC (pH 7.4): 302.67; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 34.06 cm3; (15)Molar Volume: 110.8 cm3; (16)Polarizability: 13.5×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 74.9 °C; (20)Enthalpy of Vaporization: 39.51 kJ/mol; (21)Boiling Point: 175.6 °C at 760 mmHg; (22)Vapour Pressure: 1.53 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed, and risk of serious damage to the eyes. It also irritates to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC1=C(C=NC=C1)Cl
(2)InChI: InChI=1S/C6H6ClN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
(3)InChIKey: VLNXNJMHLZFECV-UHFFFAOYSA-N 

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