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5-bromoquinoline

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Name

5-bromoquinoline

EINECS -0
CAS No. 4964-71-0 Density 1.564 g/cm3
PSA 12.89000 LogP 2.99730
Solubility N/A Melting Point 50-52 °C
Formula C9H6BrN Boiling Point 295.9 °C at 760 mmHg
Molecular Weight 208.057 Flash Point 132.8 °C
Transport Information N/A Appearance Pale yellow liquid
Safety 26-36 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 4964-71-0 (5-Bromoquinoline) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

5-BROMOQUINOLINE

Article Data 25

5-bromoquinoline Specification

The 5-bromoquinoline, with its cas registry number 4964-71-0, has other names as Quinoline, 5-bromo-. And its product categories are various, including Halides; Heterocycles; Quinoline; Quinoline Derivertives; Halogenated; Organohalides; Haloquinolines; Quinolines; Boronic Acid; Heterocyclic Compounds.

The physical properties of this chemical are as follows: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 85.12; (6)ACD/BCF (pH 7.4): 87.13; (7)ACD/KOC (pH 5.5): 832.15; (8)ACD/KOC (pH 7.4): 851.81; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 49.87 cm3; (15)Molar Volume: 132.9 cm3; (16)Polarizability: 19.77 ×10-24 cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.564 g/cm3; (19)Flash Point: 132.8 °C; (20)Enthalpy of Vaporization: 51.42 kJ/mol; (21)Boiling Point: 295.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00261 mmHg at 25°C; (23)Exact Mass: 206.968362; (24)MonoIsotopic Mass: 206.968362; (25)Topological Polar Surface Area: 12.9; (26)Heavy Atom Count: 11; (27)Formal Charge: 0; (28)Complexity: 138.

When you are dealing with this chemical, you shoule be cautious and then take some measures to protect yourself. For being among the irritant chemicals, it is irritating to eyes, respiratory system and skin, and it may cause inflammation to the skin or other mucous membranes. Then it is harmful and may cause damage to health. If by inhalation, in contact with skin and if swallowed, it will be very dangerous. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=CC=N2)C(=C1)Br
(2)InChI: InChI=1S/C9H6BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
(3)InChIKey: CHODTZCXWXCALP-UHFFFAOYSA-N 

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