2-(4-Bromophenyl)benzothiazole - CAS 19654-19-4

Catalog:	BB015198
Product Name:	2-(4-Bromophenyl)benzothiazole
CAS:	19654-19-4
Synonyms:	2-(4-bromophenyl)-1,3-benzothiazole

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	2-(4-bromophenyl)-1,3-benzothiazole
Description:	2-(4-Bromophenyl)benzothiazole (CAS# 19654-19-4) is a useful research chemical.
Molecular Weight:	290.18
Molecular Formula:	C13H8BrNS
Canonical SMILES:	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)Br
InChI:	InChI=1S/C13H8BrNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChI Key:	FQIRBKKYMJKENC-UHFFFAOYSA-N
Boiling Point:	397.9 °C at 760 mmHg
Melting Point:	134 °C
Purity:	95 %
Density:	1.545 g/cm³
Solubility:	Other solvents(Soluble) : Toluene
Appearance:	White powder
MDL:	MFCD00579199
LogP:	4.72580

Publication Number	Title	Priority Date
CN-113372293-A	Preparation method of 2-phenylbenzothiazole derivative	20210625
KR-102260561-B1	Composition For Capping Layer of Organic Light Emitting Diode and Organic Light Emitting Diode Having The Same	20210114
CN-112028853-A	Arylamine derivative and organic electroluminescent device thereof	20200909
CN-112028853-B	Arylamine derivative and organic electroluminescent device thereof	20200909
CN-112142686-A	Preparation method of heterogeneous sustainable catalytic benzothiazole derivative	20200909

PMID	Publication Date	Title	Journal
21684753	20110715	Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking	Bioorganic & medicinal chemistry

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.95608
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	288.95608
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5