CAS No.5332-24-1,3-Bromoquinoline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5332-24-1
Name:	3-Bromoquinoline
Article Data:	35

Formula:	C₉H₆BrN
Molecular Weight:	208.057
Synonyms:	Quinoline, 3-bromo-;3-Bromo-quinoline;NSC 3995;
EINECS:	226-237-1
Density:	1.564 g/cm³
Melting Point:	13-15 °C(lit.)
Boiling Point:	275.7 °C at 760 mmHg
Flash Point:	120.6 °C
Solubility:	103mg/L at 25℃
Appearance:	colorless to light yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	12.89000
LogP:	2.99730

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Specification

This product is an organic compound with the formula C₉H₆BrN. The systematic name of this chemical is 3-Bromoquinoline. It belongs to the product categories of Blocks; Bromides; Quinolines; Halides; Heterocycles; Quinolines, Quinazolines and derivatives; Quinoline & Isoquinoline; Quinoline Derivertives; Aromatics Compounds; Haloquinolines; Aromatics; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Quinolines Heterocyclic Building Blocks. Its EINECS number is 226-237-1. With the CAS registry number 5332-24-1, it is also named as Quinoline, 3-bromo-. In addition, the molecular weight is 208.05. It can be used as pharmaceutical intermediate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.

Physical properties of 3-Bromoquinoline are: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 118.12; (6)ACD/BCF (pH 7.4): 118.25; (7)ACD/KOC (pH 5.5): 1058.91; (8)ACD/KOC (pH 7.4): 1060.02; (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: 1.673; (14)Molar Refractivity: 49.87 cm³; (15)Molar Volume: 132.9 cm³; (16)Polarizability: 19.77×10^-24cm³; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.564 g/cm³; (19)Flash Point: 120.6 °C; (20)Enthalpy of Vaporization: 49.35 kJ/mol; (21)Boiling Point: 275.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00841 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-bromo-quinoline 1-oxide by heating. This reaction will need reagents bakers'yeast, NaOH and solvents ethanol, H₂O with the reaction time of 1 hour. The yield is about 96%.

3-Bromoquinoline can be prepared by 3-bromo-quinoline 1-oxide by heating

Uses of 3-Bromoquinoline: it can be used to produce 3-bromo-2-fluoro-quinoline at the temperature of 0 °C. It will need reagents F₂, I₂, Et₃N and solvent 1,1,2-trichloro-1,2,2-trifluoro-ethane. The yield is about 85%.

3-Bromoquinoline can be used to produce 3-bromo-2-fluoro-quinoline at the temperature of 0 °C

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

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2ccccc2nc1
(2)Std. InChI: InChI=1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
(3)Std. InChIKey: ZGIKWINFUGEQEO-UHFFFAOYSA-N