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1-Ethynyl-2,4,5-trimethylbenzene

1-Ethynyl-2,4,5-trimethylbenzene - CAS 351002-92-1

Catalog:	BB022429
Product Name:	1-Ethynyl-2,4,5-trimethylbenzene
CAS:	351002-92-1
Synonyms:	1-ethynyl-2,4,5-trimethylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-ethynyl-2,4,5-trimethylbenzene
Description:	1-Ethynyl-2,4,5-trimethylbenzene (CAS# 351002-92-1 ) is a useful research chemical.
Molecular Weight:	144.21
Molecular Formula:	C11H12
Canonical SMILES:	CC1=CC(=C(C=C1C#C)C)C
InChI:	InChI=1S/C11H12/c1-5-11-7-9(3)8(2)6-10(11)4/h1,6-7H,2-4H3
InChI Key:	FXHLQHXVJWYAGQ-UHFFFAOYSA-N
Boiling Point:	222 °C at 760 mmHg
Density:	0.92 g/cm³
MDL:	MFCD05865154
LogP:	2.59310

Publication Number	Title	Priority Date
JP-2017132731-A	Base-catalyzed double addition of phosphine oxides to alkynes	20160129
WO-2016086071-A1	Spectrally encoded consumable spectrometer apparatus and methods	20141124
KR-101627039-B1	One-pot Synthesis of Furopyranone Derivatives by Rh Catalyzed Reaction	20140825
KR-20160024250-A	One-pot Synthesis of Furopyranone Derivatives by Rh Catalyzed Reaction	20140825
AU-2014270353-A1	Tylosin derivatives and method for preparation thereof	20130523

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GHS Hazard Statement:	H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P280, P305+P351+P338, and P310
Signal Word:	Danger

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.093900383
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.093900383
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3