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6-Bromoquinoline(CAS No. 5332-25-2)

6-Bromoquinoline C9H6BrN (cas 5332-25-2) Molecular Structure

5332-25-2 Structure

Identification and Related Records

【Name】
6-Bromoquinoline
【Iupac name】
6-bromoquinoline
【CAS Registry number】
5332-25-2
【Synonyms】
Quinoline, 6-bromo-
6-Bromo-quinoline
【EINECS(EC#)】
226-238-7
【Molecular Formula】
C9H6BrN (Products with the same molecular formula)
【Molecular Weight】
208.06
【Inchi】
InChI=1/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
【InChIKey】
IFIHYLCUKYCKRH-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC2=C(C=CC(=C2)Br)N=C1
【MOL File】
5332-25-2.mol

Chemical and Physical Properties

【Appearance】
Light Yellow Colour Liquid
【Density】
1.564 g/cm3
【Melting Point】
19°C
【Boiling Point】
278 °C at 760 mmHg
【Refractive Index】
n20/D 1.663
【Flash Point】
132.8 °C
【Storage temp】
Refrigerator
【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】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】

Safety Information of 6-Bromoquinoline (CAS NO.5332-25-2):
Hazard Codes: XiIrritant,XnHarmful
Risk Statements: 36/37/38-41-37/38-22-20/21/22??
R36/37/38:Irritating to eyes, respiratory system and skin.?
R41:Risk of serious damage to the eyes.?
R37/38:Irritating to respiratory system and skin.?
R22:Harmful if swallowed.?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-37/39-39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S37/39:Wear suitable gloves and eye/face protection.?
S39:Wear eye / face protection.?
S36:Wear suitable protective clothing.
Hazard Note: Irritant
HazardClass: IRRITANT?

【Specification】

?6-Bromoquinoline , its CAS NO. is 5332-25-2, the synonyms are NSC 3996 ; Quinoline, 6-bromo- .??

Supplier Location

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