7-Bromo-2-chloroquinoline - CAS 99455-15-9

Catalog:	BB042292
Product Name:	7-Bromo-2-chloroquinoline
CAS:	99455-15-9
Synonyms:	2-Chloro-7-bromoquinoline; 7-Bromo-2-chloro-quinoline; Quinoline, 7-bromo-2-chloro-

Technical Data

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Computed Properties

IUPAC Name:	7-bromo-2-chloroquinoline
Molecular Weight:	242.50
Molecular Formula:	C9H5BrClN
Canonical SMILES:	C1=CC(=CC2=C1C=CC(=N2)Cl)Br
InChI:	InChI=1S/C9H5BrClN/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H
InChI Key:	MOEWRAKNXMILKB-UHFFFAOYSA-N
Boiling Point:	325.7±22.0°C (Predicted)
Melting Point:	120-121°C
Purity:	≥95%
Density:	1.673 g/cm³
Appearance:	Solid
Storage:	Store at RT
LogP:	3.65070

Publication Number	Title	Priority Date
WO-2021018023-A1	Small molecule glp-1 receptor modulator	20190801
WO-2020206308-A1	Selective inhibitors of protein arginine methyltransferase 5	20190405
WO-2020033282-A1	Prmt5 inhibitors	20180807
WO-2020033284-A1	Prmt5 inhibitors	20180807
EP-3833667-A1	Prmt5 inhibitors	20180807

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Related Functional Groups

Quinoline/Isoquinoline

[203506-30-3]
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[1031928-21-8]
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[1394843-51-6]
3-Hydroxy-1-methyl-6-nitroquinolin-2(1H)-one
[391-02-6]
Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate
[1745-07-9]
Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-
[2241982-85-2]
Isoquinoline-5,8-D2

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GHS Hazard Statement:	H301 (95.12%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.92939
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.92939
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8