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Quinoline, 4-bromo-(CAS No. 3964-04-3)

Quinoline, 4-bromo- C9H6BrN (cas 3964-04-3) Molecular Structure

3964-04-3 Structure

Identification and Related Records

【Name】
Quinoline, 4-bromo-
【Iupac name】
4-bromoquinoline
【CAS Registry number】
3964-04-3
【Synonyms】
4-Bromoquinoline
【Molecular Formula】
C9H6BrN (Products with the same molecular formula)
【Molecular Weight】
208.06
【Inchi】
InChI=1/C9H6BrN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
【Canonical SMILES】
C1=CC=C2C(=C1)C(=CC=N2)Br
【MOL File】
3964-04-3.mol

Chemical and Physical Properties

【Density】
1.564g/cm3
【Melting Point】
29-34 °C
【Boiling Point】
295.9°Cat760mmHg
【Refractive Index】
1.674
【Flash Point】
132.8°C
【Computed Properties】
Molecular Weight:208.05464 [g/mol]
Molecular Formula:C9H6BrN
XLogP3:1.6
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】
R36/37/38
【Safety Statements 】
26-36
【Hazard Note】
Irritant
【Safety】

Safety information of 4-Bromoquinoline (3964-04-3)C9H6BrN:
Hazard Codes  Xi,Xn
Risk Statements 
36/37/38  Irritating to eyes, respiratory system and skin
20/21/22  Harmful by inhalation, in contact with skin and if swallowed
Safety Statements 
26  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36  Wear suitable protective clothing
Hazard Note  Irritant

Supplier Location

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Telephone:86-311-80800737

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