3-Bromo-1-(triisopropylsilyl)pyrrole - CAS 87630-36-2

Catalog:	BB038558
Product Name:	3-Bromo-1-(triisopropylsilyl)pyrrole
CAS:	87630-36-2
Synonyms:	(3-bromo-1-pyrrolyl)-tri(propan-2-yl)silane; (3-bromopyrrol-1-yl)-tri(propan-2-yl)silane

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Computed Properties

IUPAC Name:	(3-bromopyrrol-1-yl)-tri(propan-2-yl)silane
Description:	3-Bromo-1-(triisopropylsilyl)pyrrole (CAS# 87630-36-2) is a useful research chemical.
Molecular Weight:	302.33
Molecular Formula:	C13H24BrNSi
Canonical SMILES:	CC(C)[Si](C(C)C)(C(C)C)N1C=CC(=C1)Br
InChI:	InChI=1S/C13H24BrNSi/c1-10(2)16(11(3)4,12(5)6)15-8-7-13(14)9-15/h7-12H,1-6H3
InChI Key:	CNAUTMPRKBSDLH-UHFFFAOYSA-N
Boiling Point:	281.1 °C at 760 mmHg
Density:	1.16 g/cm³
MDL:	MFCD01321136
LogP:	5.27420

Publication Number	Title	Priority Date
WO-2021207343-A1	Malt1 inhibitors and uses thereof	20200408
WO-2020245291-A1	Pyrrole derivatives as acc inhibitors	20190606
JP-2020511542-A	Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents	20170521
US-2020055867-A1	Substituted [5,6]cyclic-4(3h)-pyrimidinones as anticancer agents	20170521
WO-2018217439-A1	Substituted [5,6]cyclic-4(3h)-pyrimidinones as anticancer agents	20170521

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GHS Hazard Statement:	H302 (50%): 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, and P501
Signal Word:	Warning

Complexity:	206
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	301.08614
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	301.08614
Rotatable Bond Count:	4
Topological Polar Surface Area:	4.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0