2-Bromo-5-(trifluoromethyl)-1,3,4-thiadiazole - CAS 37461-61-3

Catalog:	BB023292
Product Name:	2-Bromo-5-(trifluoromethyl)-1,3,4-thiadiazole
CAS:	37461-61-3
Synonyms:	2-bromo-5-(trifluoromethyl)-1,3,4-thiadiazole; 2-bromo-5-(trifluoromethyl)-1,3,4-thiadiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-5-(trifluoromethyl)-1,3,4-thiadiazole
Description:	2-Bromo-5-(trifluoromethyl)-1,3,4-thiadiazole (CAS# 37461-61-3) is a useful research chemical.
Molecular Weight:	233.01
Molecular Formula:	C3BrF3N2S
Canonical SMILES:	C1(=NN=C(S1)Br)C(F)(F)F
InChI:	InChI=1S/C3BrF3N2S/c4-2-9-8-1(10-2)3(5,6)7
InChI Key:	LGTVLLPQCMJOGT-UHFFFAOYSA-N
Boiling Point:	174.8 °C at 760 mmHg
Density:	2.025 g/cm³
Appearance:	Light yellow liquid
MDL:	MFCD00015535
LogP:	2.31940

Publication Number	Title	Priority Date
WO-2021210650-A1	Aryl or heteroaryl derivative	20200416
EP-3415506-A1	Process for the manufacture of haloalkyl substituted thiadiazole compounds	20170613
EP-3402781-B1	3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives	20160113
KR-20180097732-A	3 - ((hetero-) aryl) -8-amino-2-oxo-1,3-diaza-spiro- [4.5]	20160113
EP-3722284-A1	3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives	20160113

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[163719-81-1]
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[96898-36-1]
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.89177
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.89177
Rotatable Bond Count:	0
Topological Polar Surface Area:	54 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3