2-(Bromoacetyl)pyridine hydrobromide supplier

Name
2-(BROMOACETYL)PYRIDINE HYDROBROMIDE
EINECS
CAS No. 17570-98-8
Article Data27
CAS DataBase
Density 1.57g/cm3
Solubility
Melting Point 205 °C
Formula C₇H₇Br₂NO
Boiling Point 249.1 °C at 760 mmHg
Molecular Weight 280.947
Flash Point 104.5 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ethanone,2-bromo-1-(2-pyridinyl)-, hydrobromide (9CI);Ketone, bromomethyl 2-pyridyl,hydrobromide (6CI,8CI);2-(Bromoacetyl)pyridine hydrobromide;2-(a-Bromoacetyl)pyridinium hydrobromide;2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide;2-Bromo-1-(2-pyridinyl)ethanone hydrobromide;Bromomethyl 2-pyridyl ketonehydrobromide;
PSA 29.96000
LogP 2.61730

2-(Bromoacetyl)pyridine hydrobromide Specification

The IUPAC name of Ethanone,2-bromo-1-(2-pyridinyl)-, hydrobromide (1:1) is 2-bromo-1-pyridin-2-ylethanone hydrobromide. With the CAS registry number 17570-98-8, it is also named as Bromomethyl 2-pyridyl ketonehydrobromide. In addition, its molecular formula is C₇H₇Br₂NO and its molecular weight is 280.94.

The other characteristics of Ethanone,2-bromo-1-(2-pyridinyl)-, hydrobromide (1:1) can be summarized as: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.76; (6)ACD/BCF (pH 7.4): 6.76; (7)ACD/KOC (pH 5.5): 136.67; (8)ACD/KOC (pH 7.4): 136.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.95 Å²; (13)Flash Point: 104.5 °C; (14)Enthalpy of Vaporization: 48.63 kJ/mol; (15)Boiling Point: 249.1 °C at 760 mmHg; (16)Vapour Pressure: 0.0233 mmHg at 25 °C; (16)Melting Point: 205 °C.

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

People can use the following data to convert to the molecule structure.
(1)SMILES: [Br-].O=C(c1[nH+]cccc1)CBr
(2)InChI: InChI=1/C7H6BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4H,5H2;1H
(3)InChIKey: BYKVUGZUYJUSKD-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H6BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4H,5H2;1H
(5)Std. InChIKey: BYKVUGZUYJUSKD-UHFFFAOYSA-N

Product Name

2-(BROMOACETYL)PYRIDINE HYDROBROMIDE

2-(Bromoacetyl)pyridine hydrobromide Specification

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