4-Bromobenzothiazole - CAS 767-68-0

Catalog:	BB035692
Product Name:	4-Bromobenzothiazole
CAS:	767-68-0
Synonyms:	4-bromo-1,3-benzothiazole; 4-bromo-1,3-benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-1,3-benzothiazole
Description:	4-Bromobenzothiazole (CAS# 767-68-0) is a useful research chemical.
Molecular Weight:	214.08
Molecular Formula:	C7H4BrNS
Canonical SMILES:	C1=CC2=C(C(=C1)Br)N=CS2
InChI:	InChI=1S/C7H4BrNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
InChI Key:	SXZKODVCLOIJGX-UHFFFAOYSA-N
Boiling Point:	291.5 °C at 760 mmHg
Density:	1.748 g/cm³
MDL:	MFCD11858590
LogP:	3.05880

Publication Number	Title	Priority Date
CN-113321942-A	Sensitizing dye, sensitizing dye composition for photoelectric conversion, photoelectric conversion element, and dye-sensitized solar cell	20200228
CN-112409385-A	Azaaryl compounds and uses thereof	20190822
WO-2021032004-A1	Azaheteroaryl compound and application thereof	20190822
WO-2021032004-A9	Azaheteroaryl compound and application thereof	20190822
WO-2020229968-A1	Non-lysosomal glucosylceramidase inhibitors and uses thereof	20190510

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.92478
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.92478
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1