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(3-Bromophenylethynyl)trimethylsilane

(3-Bromophenylethynyl)trimethylsilane - CAS 3989-13-7

Catalog:	BB024184
Product Name:	(3-Bromophenylethynyl)trimethylsilane
CAS:	3989-13-7
Synonyms:	2-(3-bromophenyl)ethynyl-trimethylsilane

Technical Data

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Computed Properties

IUPAC Name:	2-(3-bromophenyl)ethynyl-trimethylsilane
Description:	(3-Bromophenylethynyl)trimethylsilane (CAS# 3989-13-7 ) is a useful research chemical.
Molecular Weight:	253.21
Molecular Formula:	C11H13BrSi
Canonical SMILES:	C[Si](C)(C)C#CC1=CC(=CC=C1)Br
InChI:	InChI=1S/C11H13BrSi/c1-13(2,3)8-7-10-5-4-6-11(12)9-10/h4-6,9H,1-3H3
InChI Key:	BXXMHQYHYOTTPM-UHFFFAOYSA-N
Boiling Point:	80 °C0.2 mmHg (lit.)
Purity:	95 %
Density:	1.189 g/cm³
MDL:	MFCD01863664
LogP:	3.67800

Publication Number	Title	Priority Date
CN-108794319-B	Preparation method of ibuprofen impurity A	20180710
KR-101748676-B1	Polymer with Bis-Tolane as an Integrated part of Benzodithiophene donor unit and organic photovoltaic device using the same	20150804
KR-20170016643-A	Polymer with Bis-Tolane as an Integrated part of Benzodithiophene donor unit and organic photovoltaic device using the same	20150804
AU-2014290498-A1	Aminomethyl-biaryl derivatives as complement Factor D inhibitors and uses thereof	20130718
CA-2917614-A1	Aminomethyl-biaryl derivatives complement factor d inhibitors and uses thereof	20130718

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Signal Word:	Warning

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.99699
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.99699
Rotatable Bond Count:	2
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0