8-Bromo-1,2,3,4-tetrahydroisoquinoline - CAS 75416-51-2

Catalog:	BB035321
Product Name:	8-Bromo-1,2,3,4-tetrahydroisoquinoline
CAS:	75416-51-2
Synonyms:	8-bromo-1,2,3,4-tetrahydroisoquinoline; 8-bromo-1,2,3,4-tetrahydroisoquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	8-bromo-1,2,3,4-tetrahydroisoquinoline
Description:	8-Bromo-1,2,3,4-tetrahydroisoquinoline (CAS# 75416-51-2) is a useful intermediate for organic synthesis.
Molecular Weight:	212.09
Molecular Formula:	C9H10BrN
Canonical SMILES:	C1CNCC2=C1C=CC=C2Br
InChI:	InChI=1S/C9H10BrN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
InChI Key:	KHWGHUZYXQPIKA-UHFFFAOYSA-N
Boiling Point:	294.3 °C at 760 mmHg
Density:	1.428 g/cm³
LogP:	2.42360

Publication Number	Title	Priority Date
EP-3623369-A1	Novel morpholinyl amine compounds for the treatment of autoimmune disease	20180912
CN-110818683-A	2-pyridine substituted urea structure small molecule compound and synthesis and application thereof	20180810
WO-2018237349-A1	TYPE 1 METHIONYL-ARNT SYNTHASEASE INHIBITORS AND METHODS OF USE	20170623
US-2021155617-A1	INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM	20170623
CA-3063809-A1	Compounds	20170517

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Related Functional Groups

Quinoline/Isoquinoline

[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[1203578-65-7]
7-Bromo-2-phenylquinoline
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[1245816-24-3]
8-(Tributylstannyl)isoquinoline
[1394843-51-6]
3-Hydroxy-1-methyl-6-nitroquinolin-2(1H)-one
[86-78-2]
N1-Isopropyl-N5-(6-methoxy-8-quinolyl)-1,5-pentanediamine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2