5-Bromo-1,2,3,4-tetrahydroquinoline - CAS 114744-50-2

Catalog:	BB003424
Product Name:	5-Bromo-1,2,3,4-tetrahydroquinoline
CAS:	114744-50-2
Synonyms:	5-bromo-1,2,3,4-tetrahydroquinoline; 5-bromo-1,2,3,4-tetrahydroquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-1,2,3,4-tetrahydroquinoline
Description:	5-Bromo-1,2,3,4-tetrahydroquinoline (CAS# 114744-50-2) is a useful research chemical.
Molecular Weight:	212.09
Molecular Formula:	C9H10BrN
Canonical SMILES:	C1CC2=C(C=CC=C2Br)NC1
InChI:	InChI=1S/C9H10BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,11H,2-3,6H2
InChI Key:	WTZQIKXLRRDMCP-UHFFFAOYSA-N
Boiling Point:	299.676 °C at 760 mmHg
Density:	1.428 g/cm³
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
MDL:	MFCD09026771
LogP:	3.74720

Publication Number	Title	Priority Date
CN-113264876-A	Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation	20210528
CN-113121528-A	Multi-target inhibition compound, composition, functional molecule and application thereof	20200115
WO-2021143729-A1	Compound, composition and functional molecule with multi-target inhibiting effect and use thereof	20200115
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
WO-2021127404-A1	Tricyclic pyridones and pyrimidones	20191220

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Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[77156-78-6]
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
[1203578-65-7]
7-Bromo-2-phenylquinoline
[19490-87-0]
7-Methoxy-2-methylquinoline

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.99966
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.99966
Rotatable Bond Count:	0
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3