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CAS No.: | 72996-65-7 |
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Name: | 2-(2-BROMO-ETHYL)-PYRIDINE HYDROBROMIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H9Br2N |
Molecular Weight: | 266.963 |
Synonyms: | 2-(2-Bromoethyl)pyridine hydrobromide;Pyridine,2-(2-bromoethyl)-, hydrobromide (9CI); |
Boiling Point: | 258.6 °C at 760 mmHg |
Flash Point: | 110.2 °C |
PSA: | 12.89000 |
LogP: | 2.97710 |
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The Pyridine, 2-(2-bromoethyl)-, hydrobromide (1:1), with the CAS registry number 72996-65-7, is also known as 2-(2-Bromoethyl)pyridine hydrobromide. This chemical's molecular formula is C7H9Br2N and molecular weight is 266.96. What's more, its systematic name is 2-(2-Bromoethyl)pyridine hydrobromide (1:1).
Physical properties about Pyridine, 2-(2-bromoethyl)-, hydrobromide (1:1) are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 141; (8)ACD/KOC (pH 7.4): 176; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.89 Å2; (13)Flash Point: 110.2 °C; (14)Enthalpy of Vaporization: 51.22 kJ/mol; (15)Boiling Point: 258.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00929 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Br.BrCCc1ccccn1
(2) InChI: InChI=1/C7H8BrN.BrH/c8-5-4-7-3-1-2-6-9-7;/h1-3,6H,4-5H2;1H
(3) InChIKey: SAXTXIDZMKZQMV-UHFFFAOYAM