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Quinoline, 2-bromo-(CAS No. 2005-43-8)

Quinoline, 2-bromo- C9H6BrN (cas 2005-43-8) Molecular Structure

2005-43-8 Structure

Identification and Related Records

【Name】
Quinoline, 2-bromo-
【Iupac name】
2-bromoquinoline
【CAS Registry number】
2005-43-8
【Synonyms】
2-Bromoquinoline
【Molecular Formula】
C9H6BrN (Products with the same molecular formula)
【Molecular Weight】
208.05
【Inchi】
InChI=1/C9H6BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
【Canonical SMILES】
C1=CC=C2C(=C1)C=CC(=N2)Br
【MOL File】
2005-43-8.mol

Chemical and Physical Properties

【Density】
1.564g/cm3
【Melting Point】
48-49 C
【Boiling Point】
292.5°Cat760mmHg
【Vapour】
0.00319mmHg at 25°C
【Refractive Index】
1.673
【Flash Point】
130.7°C
【Computed Properties】
Molecular Weight:208.05464 [g/mol]
Molecular Formula:C9H6BrN
XLogP3:2.8
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:206.968362
MonoIsotopic Mass:206.968362
Topological Polar Surface Area:12.9
Heavy Atom Count:11
Formal Charge:0
Complexity:138
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
20/21/22-36/37/38
【Safety Statements 】
S26;S36
【Safety】

Hazard Codes of Quinoline, 2-bromo- (CAS NO.2005-43-8): IrritantXi,Xn
Risk Statements: 20/21/22-36/37/38 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.

【Specification】

Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing

Supplier Location

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Diamond member Hangzhou Dayangchem Co., Ltd.
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Telephone:0086-531-58773055

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