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6-Bromoisoquinoline(CAS No. 34784-05-9)

6-Bromoisoquinoline C9H6BrN (cas 34784-05-9) Molecular Structure

34784-05-9 Structure

Identification and Related Records

【Name】
6-Bromoisoquinoline
【Iupac name】
6-bromoisoquinoline
【CAS Registry number】
34784-05-9
【Synonyms】
Isoquinoline,6-bromo-
NSC 229320
6-Bromo-isoquinoline
【Molecular Formula】
C9H6BrN (Products with the same molecular formula)
【Molecular Weight】
208.05
【Inchi】
InChI=1/C9H6BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H
【Canonical SMILES】
C1=CC2=C(C=CN=C2)C=C1Br
【MOL File】
34784-05-9.mol

Chemical and Physical Properties

【Density】
1.564 g/cm3
【Boiling Point】
312.3 °C at 760 mmHg
【Refractive Index】
1.674
【Flash Point】
142.7 °C
【Computed Properties】
Molecular Weight:208.05464 [g/mol]
Molecular Formula:C9H6BrN
XLogP3:2.9
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;

Supplier Location

Top Suppliers

Diamond member Shanghai Do Chemical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
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Diamond member Hangzhou Dayangchem Co., Ltd.
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Telephone:86-571-88938639
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Finetech Industry limited.
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Atomax Chemicals Co.,Ltd
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Telephone:86-755-33239182

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