8-Amino-5-bromoquinoline - CAS 53472-18-7

Name: 8-Amino-5-bromoquinoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028236
Product Name:	8-Amino-5-bromoquinoline
CAS:	53472-18-7
Synonyms:	5-bromo-8-quinolinamine; 5-bromoquinolin-8-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromoquinolin-8-amine
Description:	8-Amino-5-bromoquinoline (CAS# 53472-18-7) is a useful research chemical.
Molecular Weight:	223.07
Molecular Formula:	C9H7BrN2
Canonical SMILES:	C1=CC2=C(C=CC(=C2N=C1)N)Br
InChI:	InChI=1S/C9H7BrN2/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H,11H2
InChI Key:	GEABITRRZOHARP-UHFFFAOYSA-N
Boiling Point:	353.3 °C at 760 mmHg
Density:	1.649 g/cm³
MDL:	MFCD01571832
LogP:	3.16070

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113461670-A	Novel compounds as inhibitors of rearrangement kinase during transfection	20200331
WO-2021197250-A1	Novel compound as rearranged during transfection kinase inhibitor	20200331
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
CN-111777593-A	Novel compounds as inhibitors of rearrangement kinase during transfection	20190403

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.97926
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6