2,4-Dibromothiazole - CAS 4175-77-3

Catalog:	BB024952
Product Name:	2,4-Dibromothiazole
CAS:	4175-77-3
Synonyms:	2,4-dibromo-1,3-thiazole

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Computed Properties

IUPAC Name:	2,4-dibromo-1,3-thiazole
Description:	2,4-Dibromothiazole (CAS# 4175-77-3) is an intermediate used in the preparation of various 2,4-disubstituted thiazole derivatives with biologically active properties such as survival motor neuron (SMN) protein modulators.
Molecular Weight:	242.92
Molecular Formula:	C3HBr2NS
Canonical SMILES:	C1=C(N=C(S1)Br)Br
InChI:	InChI=1S/C3HBr2NS/c4-2-1-7-3(5)6-2/h1H
InChI Key:	MKEJZKKVVUZXIS-UHFFFAOYSA-N
Boiling Point:	242.8 ℃ at 760 mmHg
Purity:	97.0 %
Density:	2.324 g/cm³
MDL:	MFCD01318994
LogP:	2.66810

Publication Number	Title	Priority Date
CN-111900477-A	High-voltage lithium ion battery electrolyte film-forming additive, electrolyte and battery thereof	20200804
CN-111393417-A	Red phosphorescent host compound and organic light-emitting device using same	20200327
CN-111423440-A	Red phosphorescent host compound and organic light-emitting device using same	20200327
CN-111533751-A	Red phosphorescent host compound and organic light-emitting device using same	20200327
WO-2021186185-A1	Novel compounds useful in the treatment and/or prevention of a disease, disorder or condition associated with angiotensin ii	20200319

PMID	Publication Date	Title	Journal
22909023	20120907	Total synthesis of lodopyridone	Organic letters
16749794	20060609	Synthesis and configurational assignment of the amino alcohol in the eastern fragment of the GE2270 antibiotics by regio- and stereoselective addition of 2-metalated 4-bromothiazoles to alpha-chiral electrophiles	The Journal of organic chemistry
15646992	20050120	Total synthesis of (+/-)-mycothiazole and formal enantioselective approach	Organic letters
12153282	20020809	Synthesis of 2'-substituted 4-bromo-2,4'-bithiazoles by regioselective cross-coupling reactions	The Journal of organic chemistry

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Related Functional Groups

Oxazole/Thiazole

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[136539-01-0]
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GHS Hazard Statement:	H302 (93.02%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	70
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.81760
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.81965
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3