3-(Trimethylsilyl)ethynylbenzaldehyde - CAS 77123-55-8

Name: 3-(Trimethylsilyl)ethynylbenzaldehyde
Brand: BOC Sciences
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Catalog:	BB035807
Product Name:	3-(Trimethylsilyl)ethynylbenzaldehyde
CAS:	77123-55-8
Synonyms:	3-(2-trimethylsilylethynyl)benzaldehyde

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Computed Properties

IUPAC Name:	3-(2-trimethylsilylethynyl)benzaldehyde
Description:	3-(Trimethylsilyl)ethynylbenzaldehyde (CAS# 77123-55-8 ) is a useful research chemical.
Molecular Weight:	202.32
Molecular Formula:	C12H14OSi
Canonical SMILES:	C[Si](C)(C)C#CC1=CC(=CC=C1)C=O
InChI:	InChI=1S/C12H14OSi/c1-14(2,3)8-7-11-5-4-6-12(9-11)10-13/h4-6,9-10H,1-3H3
InChI Key:	UPZYBRHQVJTPBO-UHFFFAOYSA-N
Boiling Point:	518.8 °C at 760 mmHg
Density:	1.47 g/cm³
MDL:	MFCD06245348
LogP:	2.72800

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Related Functional Groups

Carbonyl Compounds

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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]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
CN-111285874-A	RET inhibitors, pharmaceutical compositions thereof and uses thereof	20181207
WO-2020114494-A1	Ret inhibitors, pharmaceutical compositions and uses thereof	20181207
EP-3891148-A1	Ret inhibitors, pharmaceutical compositions and uses thereof	20181207
KR-20210100155-A	RET inhibitors, pharmaceutical compositions and uses thereof	20181207

Complexity:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.0813916
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.0813916
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0