4-[(Trimethylsilyl)ethynyl]aniline - CAS 75867-39-9

Catalog:	BB035422
Product Name:	4-[(Trimethylsilyl)ethynyl]aniline
CAS:	75867-39-9
Synonyms:	4-(2-trimethylsilylethynyl)aniline

Technical Data

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Computed Properties

IUPAC Name:	4-(2-trimethylsilylethynyl)aniline
Description:	4-[(Trimethylsilyl)ethynyl]aniline (CAS# 75867-39-9) is a useful research chemical.
Molecular Weight:	189.33
Molecular Formula:	C11H15NSi
Canonical SMILES:	C[Si](C)(C)C#CC1=CC=C(C=C1)N
InChI:	InChI=1S/C11H15NSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,12H2,1-3H3
InChI Key:	CHTZIDLXGXGNMA-UHFFFAOYSA-N
Boiling Point:	258.873 °C at 760 mmHg
Melting Point:	94-98 °C
Purity:	95 %
Density:	0.973 g/cm³
LogP:	3.07890

Publication Number	Title	Priority Date
CN-110882723-A	Bimetal loaded composite catalyst and method for catalytic synthesis of p-aminophenylacetylene by using same	20191205
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
JP-2020070395-A	Polymers of acetylene-containing benzoxazine compounds and thermosetting products thereof	20181101
CN-110520413-A	Big ring broad-spectrum antibiotic	20170215
EP-3452045-A1	Methods of treatment and combination therapies using gcase activator heterobicyclic and related compounds	20160504

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.097376017
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.097376017
Rotatable Bond Count:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0