Acetylides

Organic compounds that contain a carbon - carbon triple bond substituted with a metal in the following structure: MC≡CM, where C is carbon and M is a metal.

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3-Ethynylbenzeneboronic acid pinacol ester, 95%, Thermo Scientific™

CAS: 946168-04-3 Molecular Formula: C14H17BO2 Molecular Weight (g/mol): 228.098 MDL Number: MFCD16294529 InChI Key: SJDFLZSEQGKSDJ-UHFFFAOYSA-N Synonym: 2-3-ethynylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-3-ethynyl-phenyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,3-ethynylbenzeneboronic acid pinacol ester,amtb210,3-ethynylphenyl boronic acid pinacol ester,2-3-ethynyl-phenyl-4,4,5,5-tetramethyl-1,3,2dioxaborolane PubChem CID: 57416900 IUPAC Name: 2-(3-ethynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C#C

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PubChem CID	57416900
CAS	946168-04-3
Molecular Weight (g/mol)	228.098
MDL Number	MFCD16294529
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C#C
Synonym	2-3-ethynylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-3-ethynyl-phenyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,3-ethynylbenzeneboronic acid pinacol ester,amtb210,3-ethynylphenyl boronic acid pinacol ester,2-3-ethynyl-phenyl-4,4,5,5-tetramethyl-1,3,2dioxaborolane
IUPAC Name	2-(3-ethynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key	SJDFLZSEQGKSDJ-UHFFFAOYSA-N
Molecular Formula	C14H17BO2

Tributylethynylstannane, 95%

CAS: 994-89-8 Molecular Formula: C14H28Sn Molecular Weight (g/mol): 315.088 MDL Number: MFCD00009420 InChI Key: YEMJHNYABQHWHL-UHFFFAOYSA-N Synonym: tributylstannylacetylene,ethynyltri-n-butyltin,ethynyltributylstannane,tributyl ethynyl stannane,stannane, tributylethynyl,tributylethynyl tin,ethynyltributyltin,tributylethynyltin,tributylstannylethyne,tributyl ethynyl tin PubChem CID: 621176 IUPAC Name: tributyl(ethynyl)stannane SMILES: CCCC[Sn](CCCC)(CCCC)C#C

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PubChem CID	621176
CAS	994-89-8
Molecular Weight (g/mol)	315.088
MDL Number	MFCD00009420
SMILES	CCCC[Sn](CCCC)(CCCC)C#C
Synonym	tributylstannylacetylene,ethynyltri-n-butyltin,ethynyltributylstannane,tributyl ethynyl stannane,stannane, tributylethynyl,tributylethynyl tin,ethynyltributyltin,tributylethynyltin,tributylstannylethyne,tributyl ethynyl tin
IUPAC Name	tributyl(ethynyl)stannane
InChI Key	YEMJHNYABQHWHL-UHFFFAOYSA-N
Molecular Formula	C14H28Sn

Propiolamide, 96%

CAS: 7341-96-0 Molecular Formula: C3H3NO Molecular Weight (g/mol): 69.06 MDL Number: MFCD04035573 InChI Key: HCJTYESURSHXNB-UHFFFAOYSA-N Synonym: propiolamide,2-propynamide,propynoic acid amide,propynamide,propiolic acid amide,propargylamide,hc.equiv.cconh2,propynoicacidamide,2-propynamide 9ci PubChem CID: 101445 ChEBI: CHEBI:51764 IUPAC Name: prop-2-ynamide SMILES: NC(=O)C#C

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Specifications

PubChem CID	101445
CAS	7341-96-0
Molecular Weight (g/mol)	69.06
ChEBI	CHEBI:51764
MDL Number	MFCD04035573
SMILES	NC(=O)C#C
Synonym	propiolamide,2-propynamide,propynoic acid amide,propynamide,propiolic acid amide,propargylamide,hc.equiv.cconh2,propynoicacidamide,2-propynamide 9ci
IUPAC Name	prop-2-ynamide
InChI Key	HCJTYESURSHXNB-UHFFFAOYSA-N
Molecular Formula	C3H3NO

1,1-Dimethylpropargylamine, 95%

CAS: 2978-58-7 Molecular Formula: C5H9N Molecular Weight (g/mol): 83.134 MDL Number: MFCD00008052 InChI Key: VUGCBIWQHSRQBZ-UHFFFAOYSA-N Synonym: 1,1-dimethylpropargylamine,3-amino-3-methyl-1-butyne,3-butyn-2-amine, 2-methyl,1,1-dimethylprop-2-ynylamine,2-methyl-3-butyn-2-amine,1,1-dimethyl-prop-2-ynylamine,1,1-dimethylpropynylamine,1,1-dimethyl-2-propynylamine,1,1-dimethylprop-3-ynylamine,3-amino-3-methylbutyne PubChem CID: 76319 IUPAC Name: 2-methylbut-3-yn-2-amine SMILES: CC(C)(C#C)N

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PubChem CID	76319
CAS	2978-58-7
Molecular Weight (g/mol)	83.134
MDL Number	MFCD00008052
SMILES	CC(C)(C#C)N
Synonym	1,1-dimethylpropargylamine,3-amino-3-methyl-1-butyne,3-butyn-2-amine, 2-methyl,1,1-dimethylprop-2-ynylamine,2-methyl-3-butyn-2-amine,1,1-dimethyl-prop-2-ynylamine,1,1-dimethylpropynylamine,1,1-dimethyl-2-propynylamine,1,1-dimethylprop-3-ynylamine,3-amino-3-methylbutyne
IUPAC Name	2-methylbut-3-yn-2-amine
InChI Key	VUGCBIWQHSRQBZ-UHFFFAOYSA-N
Molecular Formula	C5H9N

4-n-Pentyloxyphenylacetylene, 98+%

CAS: 79887-16-4 Molecular Formula: C13H16O Molecular Weight (g/mol): 188.27 MDL Number: MFCD00173877 InChI Key: MKSWQHOPSDCVMS-UHFFFAOYSA-N Synonym: 1-eth-1-ynyl-4-pentyloxy benzene,1-ethynyl-4-pentyloxy benzene,p-ethynyl pentyloxy benzene,4-n-pentyloxyphenylacetylene,4-pentoxyphenylacetylene,acmc-1bl8i,1-4-pentoxyphenyl ethyne,1-ethynyl-4-pentyloxybenzene,4-n-pentyloxy-phenylacetylene,4-n-pentyloxyphenyl acetylene PubChem CID: 2775119 IUPAC Name: 1-ethynyl-4-pentoxybenzene SMILES: CCCCCOC1=CC=C(C=C1)C#C

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PubChem CID	2775119
CAS	79887-16-4
Molecular Weight (g/mol)	188.27
MDL Number	MFCD00173877
SMILES	CCCCCOC1=CC=C(C=C1)C#C
Synonym	1-eth-1-ynyl-4-pentyloxy benzene,1-ethynyl-4-pentyloxy benzene,p-ethynyl pentyloxy benzene,4-n-pentyloxyphenylacetylene,4-pentoxyphenylacetylene,acmc-1bl8i,1-4-pentoxyphenyl ethyne,1-ethynyl-4-pentyloxybenzene,4-n-pentyloxy-phenylacetylene,4-n-pentyloxyphenyl acetylene
IUPAC Name	1-ethynyl-4-pentoxybenzene
InChI Key	MKSWQHOPSDCVMS-UHFFFAOYSA-N
Molecular Formula	C13H16O

4-Ethynylbenzeneboronic acid pinacol ester, 95%

CAS: 1034287-04-1 Molecular Formula: C14H17BO2 Molecular Weight (g/mol): 228.098 MDL Number: MFCD16294504 InChI Key: LOVNTFMVZVIASV-UHFFFAOYSA-N Synonym: 2-4-ethynylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4-ethynyl-phenyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,4-ethynylbenzeneboronic acid pinacol ester,amtb205,4-ethynylphenylboronic acid pinacol ester PubChem CID: 57415690 IUPAC Name: 2-(4-ethynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#C

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Specifications

PubChem CID	57415690
CAS	1034287-04-1
Molecular Weight (g/mol)	228.098
MDL Number	MFCD16294504
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#C
Synonym	2-4-ethynylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4-ethynyl-phenyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,4-ethynylbenzeneboronic acid pinacol ester,amtb205,4-ethynylphenylboronic acid pinacol ester
IUPAC Name	2-(4-ethynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key	LOVNTFMVZVIASV-UHFFFAOYSA-N
Molecular Formula	C14H17BO2

1-Tridecyne, 97%

CAS: 26186-02-7 Molecular Formula: C13H24 Molecular Weight (g/mol): 180.34 MDL Number: MFCD00015074 InChI Key: GZEDKDBFUBPZNG-UHFFFAOYSA-N Synonym: 1-tridecyne,tridecyne,acmc-1cinm PubChem CID: 117754 IUPAC Name: tridec-1-yne SMILES: CCCCCCCCCCCC#C

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Specifications

PubChem CID	117754
CAS	26186-02-7
Molecular Weight (g/mol)	180.34
MDL Number	MFCD00015074
SMILES	CCCCCCCCCCCC#C
Synonym	1-tridecyne,tridecyne,acmc-1cinm
IUPAC Name	tridec-1-yne
InChI Key	GZEDKDBFUBPZNG-UHFFFAOYSA-N
Molecular Formula	C13H24

Propargyl chloride, 98%

CAS: 624-65-7 Molecular Formula: C3H3Cl Molecular Weight (g/mol): 74.51 MDL Number: MFCD00000980 InChI Key: LJZPPWWHKPGCHS-UHFFFAOYSA-N Synonym: propargyl chloride,3-chloropropyne,3-chloro-1-propyne,1-propyne, 3-chloro,2-propynyl chloride,propyne, 3-chloro,propargylchloride,unii-3m62yfl252,gamma-chloroallylene,1-chloro-2-propyne PubChem CID: 12221 IUPAC Name: 3-chloroprop-1-yne SMILES: ClCC#C

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PubChem CID	12221
CAS	624-65-7
Molecular Weight (g/mol)	74.51
MDL Number	MFCD00000980
SMILES	ClCC#C
Synonym	propargyl chloride,3-chloropropyne,3-chloro-1-propyne,1-propyne, 3-chloro,2-propynyl chloride,propyne, 3-chloro,propargylchloride,unii-3m62yfl252,gamma-chloroallylene,1-chloro-2-propyne
IUPAC Name	3-chloroprop-1-yne
InChI Key	LJZPPWWHKPGCHS-UHFFFAOYSA-N
Molecular Formula	C3H3Cl

4-Bromo-1-butyne, 97%

CAS: 38771-21-0 Molecular Formula: C4H5Br Molecular Weight (g/mol): 132.988 MDL Number: MFCD10000883 InChI Key: XLYOGWXIKVUXCL-UHFFFAOYSA-N Synonym: 4-bromo-1-butyne,1-bromo-3-butyne,1-butyne, 4-bromo,4-bromobutyne,3-butynyl bromide,1-bromo-3-butynol,4-bromo-but-1-yne,acmc-1afup,1-butyne, 4-bromo-6ci,9ci PubChem CID: 11073464 IUPAC Name: 4-bromobut-1-yne SMILES: C#CCCBr

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PubChem CID	11073464
CAS	38771-21-0
Molecular Weight (g/mol)	132.988
MDL Number	MFCD10000883
SMILES	C#CCCBr
Synonym	4-bromo-1-butyne,1-bromo-3-butyne,1-butyne, 4-bromo,4-bromobutyne,3-butynyl bromide,1-bromo-3-butynol,4-bromo-but-1-yne,acmc-1afup,1-butyne, 4-bromo-6ci,9ci
IUPAC Name	4-bromobut-1-yne
InChI Key	XLYOGWXIKVUXCL-UHFFFAOYSA-N
Molecular Formula	C4H5Br

Ethynylcyclopropane, 98%

CAS: 6746-94-7 Molecular Formula: C₅H₆ Molecular Weight (g/mol): 66.1 MDL Number: MFCD02181090 InChI Key: NPTDXPDGUHAFKC-UHFFFAOYSA-N Synonym: cyclopropylacetylene,cyclopropyl acetylene,ethynyl cyclopropane,cyclopropane,ethynyl,cyclopropane, ethynyl,cyclopropylethyne,cyclopropyacetylene,ethynyl-cyclopropane,ethynylcyclo-propane,cyclopropylacethylene PubChem CID: 138823 IUPAC Name: ethynylcyclopropane SMILES: C#CC1CC1

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Specifications

PubChem CID	138823
CAS	6746-94-7
Molecular Weight (g/mol)	66.1
MDL Number	MFCD02181090
SMILES	C#CC1CC1
Synonym	cyclopropylacetylene,cyclopropyl acetylene,ethynyl cyclopropane,cyclopropane,ethynyl,cyclopropane, ethynyl,cyclopropylethyne,cyclopropyacetylene,ethynyl-cyclopropane,ethynylcyclo-propane,cyclopropylacethylene
IUPAC Name	ethynylcyclopropane
InChI Key	NPTDXPDGUHAFKC-UHFFFAOYSA-N
Molecular Formula	C₅H₆

(S)-(-)-3-Butyn-2-ol, 95%, 98% ee

CAS: 2914-69-4 Molecular Formula: C₄H₆O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00190166 InChI Key: GKPOMITUDGXOSB-BYPYZUCNSA-N Synonym: s---3-butyn-2-ol,s-3-butyn-2-ol,2s-but-3-yn-2-ol,s-but-3-yn-2-ol,3-butyn-2-ol, 2s,s---1-butyn-3-ol,2s-3-butyn-2-ol,3r-+-3-hydroxybut-1-yne,s---3-butyn-2-ol, purum gc PubChem CID: 6995470 IUPAC Name: (2S)-but-3-yn-2-ol SMILES: CC(C#C)O

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PubChem CID	6995470
CAS	2914-69-4
Molecular Weight (g/mol)	70.09
MDL Number	MFCD00190166
SMILES	CC(C#C)O
Synonym	s---3-butyn-2-ol,s-3-butyn-2-ol,2s-but-3-yn-2-ol,s-but-3-yn-2-ol,3-butyn-2-ol, 2s,s---1-butyn-3-ol,2s-3-butyn-2-ol,3r-+-3-hydroxybut-1-yne,s---3-butyn-2-ol, purum gc
IUPAC Name	(2S)-but-3-yn-2-ol
InChI Key	GKPOMITUDGXOSB-BYPYZUCNSA-N
Molecular Formula	C₄H₆O

1-Octyne, 98%

CAS: 629-05-0 Molecular Formula: C8H14 Molecular Weight (g/mol): 110.20 MDL Number: MFCD00009546 InChI Key: UMIPWJGWASORKV-UHFFFAOYSA-N Synonym: 1-octyne,hexylacetylene,octyne-1,n-octyne,hex-1-yl acetylene,pubchem13059,acmc-209na4,4-01-00-01034 beilstein handbook reference,1-octyne 10g PubChem CID: 12370 IUPAC Name: oct-1-yne SMILES: CCCCCCC#C

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Specifications

PubChem CID	12370
CAS	629-05-0
Molecular Weight (g/mol)	110.20
MDL Number	MFCD00009546
SMILES	CCCCCCC#C
Synonym	1-octyne,hexylacetylene,octyne-1,n-octyne,hex-1-yl acetylene,pubchem13059,acmc-209na4,4-01-00-01034 beilstein handbook reference,1-octyne 10g
IUPAC Name	oct-1-yne
InChI Key	UMIPWJGWASORKV-UHFFFAOYSA-N
Molecular Formula	C8H14

1-Decyne, 98%

CAS: 764-93-2 Molecular Formula: C₁₀H₁₈ Molecular Weight (g/mol): 138.25 MDL Number: MFCD00009576 InChI Key: ILLHQJIJCRNRCJ-UHFFFAOYSA-N Synonym: 1-decyne,decyne,octylacetylene,unii-ulr28gd98q,ulr28gd98q,decine,n-octylacetylene,deca-1-yne,acmc-209p3y PubChem CID: 12997 ChEBI: CHEBI:87322 IUPAC Name: dec-1-yne SMILES: CCCCCCCCC#C

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PubChem CID	12997
CAS	764-93-2
Molecular Weight (g/mol)	138.25
ChEBI	CHEBI:87322
MDL Number	MFCD00009576
SMILES	CCCCCCCCC#C
Synonym	1-decyne,decyne,octylacetylene,unii-ulr28gd98q,ulr28gd98q,decine,n-octylacetylene,deca-1-yne,acmc-209p3y
IUPAC Name	dec-1-yne
InChI Key	ILLHQJIJCRNRCJ-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₈

(R)-(+)-3-Butyn-2-ol, 98%

CAS: 42969-65-3 Molecular Formula: C₄H₆O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00211237 InChI Key: GKPOMITUDGXOSB-SCSAIBSYSA-N Synonym: r-+-3-butyn-2-ol,r-3-butyn-2-ol,2r-but-3-yn-2-ol,r-but-3-yn-2-ol,2r-3-butyn-2-ol,3-butyn-2-ol, 2r,r-+-1-butyn-3-ol,+-3-butyn-2-ol,pubchem20211,r---3-butyne-2-ol PubChem CID: 638102 IUPAC Name: (2R)-but-3-yn-2-ol SMILES: CC(C#C)O

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Specifications

PubChem CID	638102
CAS	42969-65-3
Molecular Weight (g/mol)	70.09
MDL Number	MFCD00211237
SMILES	CC(C#C)O
Synonym	r-+-3-butyn-2-ol,r-3-butyn-2-ol,2r-but-3-yn-2-ol,r-but-3-yn-2-ol,2r-3-butyn-2-ol,3-butyn-2-ol, 2r,r-+-1-butyn-3-ol,+-3-butyn-2-ol,pubchem20211,r---3-butyne-2-ol
IUPAC Name	(2R)-but-3-yn-2-ol
InChI Key	GKPOMITUDGXOSB-SCSAIBSYSA-N
Molecular Formula	C₄H₆O

5-Hexynenitrile, 98%

CAS: 14918-21-9 Molecular Formula: C₆H₇N Molecular Weight (g/mol): 93.13 MDL Number: MFCD00001978 InChI Key: JZYKFLLRVPPISG-UHFFFAOYSA-N Synonym: 5-hexynenitrile,5-cyano-1-pentyne,acmc-1c81n,5-hexynenitrile 1g PubChem CID: 139852 IUPAC Name: hex-5-ynenitrile SMILES: C#CCCCC#N

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Specifications

PubChem CID	139852
CAS	14918-21-9
Molecular Weight (g/mol)	93.13
MDL Number	MFCD00001978
SMILES	C#CCCCC#N
Synonym	5-hexynenitrile,5-cyano-1-pentyne,acmc-1c81n,5-hexynenitrile 1g
IUPAC Name	hex-5-ynenitrile
InChI Key	JZYKFLLRVPPISG-UHFFFAOYSA-N
Molecular Formula	C₆H₇N

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