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70291-26-8

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Basic Information
CAS No.: 70291-26-8
Name: 2-CHLORO-3-PYRROL-1-YLPYRIDINE
Article Data: 5
Molecular Structure:
Molecular Structure of 70291-26-8 (2-CHLORO-3-PYRROL-1-YLPYRIDINE)
Formula: C9H7ClN2
Molecular Weight: 178.62
Synonyms: 1-(2-Chloro-3-pyridinyl)-1H-pyrrole;
Density: 1.23 g/cm3
Boiling Point: 303.6 °C at 760 mmHg
Flash Point: 137.4 °C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36/37/39
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Specification

The Pyridine, 2-chloro-3-(1H-pyrrol-1-yl)-, with the CAS registry number 70291-26-8, is also known as 2-Chloro-3-(1H-pyrrol-1-yl)pyridine. This chemical's molecular formula is C9H7ClN2 and molecular weight is 178.62. What's more, its IUPAC name is 2-Chloro-3-pyrrol-1-ylpyridine.

Physical properties about Pyridine, 2-chloro-3-(1H-pyrrol-1-yl)- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.68; (6)ACD/BCF (pH 7.4): 30.68; (7)ACD/KOC (pH 5.5): 403.55; (8)ACD/KOC (pH 7.4): 403.55; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 50.53 cm3; (15)Molar Volume: 145.1 cm3; (16)Polarizability: 20.03×10-24 cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 137.4 °C; (20)Enthalpy of Vaporization: 52.22 kJ/mol; (21)Boiling Point: 303.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00165 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ncccc1n2cccc2
(2) InChI: InChI=1/C9H7ClN2/c10-9-8(4-3-5-11-9)12-6-1-2-7-12/h1-7H
(3) InChIKey: YPHURMQZAOERMW-UHFFFAOYAS