2-Bromo-5-(tert-butyl)thiophene - CAS 93425-02-6

Catalog:	BB040918
Product Name:	2-Bromo-5-(tert-butyl)thiophene
CAS:	93425-02-6
Synonyms:	2-bromo-5-tert-butylthiophene; 2-bromo-5-tert-butylthiophene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-5-tert-butylthiophene
Description:	2-Bromo-5-(tert-butyl)thiophene (CAS# 93425-02-6) is a useful research chemical.
Molecular Weight:	219.14
Molecular Formula:	C8H11BrS
Canonical SMILES:	CC(C)(C)C1=CC=C(S1)Br
InChI:	InChI=1S/C8H11BrS/c1-8(2,3)6-4-5-7(9)10-6/h4-5H,1-3H3
InChI Key:	HTEIRRKBIRSBIZ-UHFFFAOYSA-N
LogP:	3.80810

Publication Number	Title	Priority Date
US-2020045968-A1	Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients	20170411
US-10193084-B2	2,2â€²-bibenzo[D]imidazolidene compound having heteromonocyclic groups at the 1-, 1â€²-, 3- and 3â€²- positions, and organic light-emitting element and display device containing the same	20150430
US-2018294418-A1	2,2'-bibenzo[d]imidazolidene compound having heteromonocyclic groups at the 1-, 1'-, 3- and 3'-positions, and organic light-emitting element and display device containing the same	20150430
WO-2016174813-A1	2,2'-bibenzo[d]imidazolidene compound having heteromonocyclic groups at the 1-, 1'-, 3- and 3'-positions, and organic light-emitting element and display device containing the same	20150430
US-2017174826-A1	Donor-acceptor polymers	20140716

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Related Functional Groups

Thiophenes

[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate
[1263208-95-2]
Ethyl 3-methyl-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carboxylate
[53090-46-3]
Ethyl 3-oxo-3-(3-thienyl)propionate

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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	117
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.97648
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.97648
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3