4,7-Dibromobenzo[c]-1,2,5-thiadiazole - CAS 15155-41-6

Catalog:	BB010678
Product Name:	4,7-Dibromobenzo[c]-1,2,5-thiadiazole
CAS:	15155-41-6
Synonyms:	4,7-dibromo-2,1,3-benzothiadiazole

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	4,7-dibromo-2,1,3-benzothiadiazole
Description:	4,7-Dibromobenzo[c]-1,2,5-thiadiazole (CAS# 15155-41-6) is a usefull building block for the construction of OLEDs.
Molecular Weight:	293.97
Molecular Formula:	C6H2Br2N2S
Canonical SMILES:	C1=C(C2=NSN=C2C(=C1)Br)Br
InChI:	InChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChI Key:	FEOWHLLJXAECMU-UHFFFAOYSA-N
Boiling Point:	326.6 °C at 760 mmHg
Melting Point:	184-185 °C
Purity:	98 %
Density:	2.229 g/cm³
Appearance:	White to orange solid or powder
MDL:	MFCD00658844
LogP:	3.21630

Publication Number	Title	Priority Date
CN-113504212-A	Method and device for detecting organic amine in liquid phase, readable storage medium and equipment	20210802
CN-113426442-A	Preparation method of nano palladium catalyst with controllable shape and size	20210715
CN-113354598-A	Simple and efficient nitration method of aromatic heterocyclic compound	20210706
CN-113429404-A	Diazosulfide modified imidazole compound and preparation method and application thereof	20210702
AU-2021103773-A4	A-D-A type benzothiadiazole small molecule and its preparation method and application	20210701

PMID	Publication Date	Title	Journal
22966645	20120701	Synthesis and characterization of new donor-acceptor type copolymers based on fluorene derivatives for photovoltaic solar cells	Journal of nanoscience and nanotechnology
21995562	20111104	Synthesis of π-conjugated molecules based on 3,4-dioxypyrroles via Pd-mediated decarboxylative cross-coupling	The Journal of organic chemistry
20843090	20101015	Small band gap polymers synthesized via a modified nitration of 4,7-dibromo-2,1,3-benzothiadiazole	Organic letters
17487152	20060101	Synthesis of cationic conjugated polymers for use in label-free DNA microarrays	Nature protocols
14971920	20040225	Interpolyelectrolyte complexes of conjugated copolymers and DNA: platforms for multicolor biosensors	Journal of the American Chemical Society

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Related Functional Groups

Oxadiazole/Thiadiazole

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Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
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Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
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Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	293.82850
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	291.83054
Rotatable Bond Count:	0
Topological Polar Surface Area:	54 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2