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

N-(Propargyloxy)phthalimide, 98%, Thermo Scientific™

CAS: 4616-63-1 Molecular Formula: C₁₁H₇NO₃ Molecular Weight (g/mol): 201.18 MDL Number: MFCD00005890 InChI Key: HBGZBVPXPDNXOV-UHFFFAOYSA-N Synonym: n-propargyloxy phthalimide,n-prop-2-ynyloxy phthalimide,2-prop-2-yn-1-yloxy isoindoline-1,3-dione,n-propargyloxyphthalimide,2-prop-2-yn-1-yloxy isoindole-1,3-dione,2-prop-2-ynyloxybenzo c azoline-1,3-dione,acmc-20aka8,n-2-propynoxyphthalimide,n-2-propynyloxy phthalimide,phthalimide, n-2-propynyloxy PubChem CID: 78357 IUPAC Name: 2-prop-2-ynoxyisoindole-1,3-dione SMILES: C#CCON1C(=O)C2=CC=CC=C2C1=O

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PubChem CID	78357
CAS	4616-63-1
Molecular Weight (g/mol)	201.18
MDL Number	MFCD00005890
SMILES	C#CCON1C(=O)C2=CC=CC=C2C1=O
Synonym	n-propargyloxy phthalimide,n-prop-2-ynyloxy phthalimide,2-prop-2-yn-1-yloxy isoindoline-1,3-dione,n-propargyloxyphthalimide,2-prop-2-yn-1-yloxy isoindole-1,3-dione,2-prop-2-ynyloxybenzo c azoline-1,3-dione,acmc-20aka8,n-2-propynoxyphthalimide,n-2-propynyloxy phthalimide,phthalimide, n-2-propynyloxy
IUPAC Name	2-prop-2-ynoxyisoindole-1,3-dione
InChI Key	HBGZBVPXPDNXOV-UHFFFAOYSA-N
Molecular Formula	C₁₁H₇NO₃

1-Heptyne, 99%

CAS: 628-71-7 Molecular Formula: C₇H₁₂ Molecular Weight (g/mol): 96.17 MDL Number: MFCD00009529 InChI Key: YVXHZKKCZYLQOP-UHFFFAOYSA-N Synonym: 1-heptyne,amylacetylene,heptyne,unii-z3nf9ssh6k,z3nf9ssh6k,amyl acetylene,n-pentylacetylene,pubchem13058,acmc-1aw2o PubChem CID: 12350 IUPAC Name: hept-1-yne SMILES: CCCCCC#C

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PubChem CID	12350
CAS	628-71-7
Molecular Weight (g/mol)	96.17
MDL Number	MFCD00009529
SMILES	CCCCCC#C
Synonym	1-heptyne,amylacetylene,heptyne,unii-z3nf9ssh6k,z3nf9ssh6k,amyl acetylene,n-pentylacetylene,pubchem13058,acmc-1aw2o
IUPAC Name	hept-1-yne
InChI Key	YVXHZKKCZYLQOP-UHFFFAOYSA-N
Molecular Formula	C₇H₁₂

4-Methoxyphenylacetylene, 98%

CAS: 768-60-5 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00168815 InChI Key: KBIAVTUACPKPFJ-UHFFFAOYSA-N Synonym: 4-ethynylanisole,4-methoxyphenylacetylene,4'-methoxyphenyl acetylene,1-ethynyl-4-methoxy-benzene,1-eth-1-ynyl-4-methoxybenzene,benzene, 1-ethynyl-4-methoxy,4-methoxyphenyl acetylene,4-ethynyl-1-methoxybenzene,4'-methoxyphenylacetylene,p-ethynylanisole PubChem CID: 251020 IUPAC Name: 1-ethynyl-4-methoxybenzene SMILES: COC1=CC=C(C=C1)C#C

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PubChem CID	251020
CAS	768-60-5
Molecular Weight (g/mol)	132.162
MDL Number	MFCD00168815
SMILES	COC1=CC=C(C=C1)C#C
Synonym	4-ethynylanisole,4-methoxyphenylacetylene,4'-methoxyphenyl acetylene,1-ethynyl-4-methoxy-benzene,1-eth-1-ynyl-4-methoxybenzene,benzene, 1-ethynyl-4-methoxy,4-methoxyphenyl acetylene,4-ethynyl-1-methoxybenzene,4'-methoxyphenylacetylene,p-ethynylanisole
IUPAC Name	1-ethynyl-4-methoxybenzene
InChI Key	KBIAVTUACPKPFJ-UHFFFAOYSA-N
Molecular Formula	C9H8O

4-Ethynylaniline, 97%

CAS: 14235-81-5 Molecular Formula: C₈H₇N Molecular Weight (g/mol): 117.15 InChI Key: JXYITCJMBRETQX-UHFFFAOYSA-N Synonym: 4-aminophenylacetylene,4-ethynyl aniline,benzenamine, 4-ethynyl,p-aminophenylacetylene,1-amino-4-ethynylbenzene,4-aminophenyl acetylene,p-ethynylaniline,4-ethynylaniline,4-ethynyl-phenylamine,p-aminophenyl-acetylene PubChem CID: 3760025 IUPAC Name: 4-ethynylaniline SMILES: C#CC1=CC=C(C=C1)N

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PubChem CID	3760025
CAS	14235-81-5
Molecular Weight (g/mol)	117.15
SMILES	C#CC1=CC=C(C=C1)N
Synonym	4-aminophenylacetylene,4-ethynyl aniline,benzenamine, 4-ethynyl,p-aminophenylacetylene,1-amino-4-ethynylbenzene,4-aminophenyl acetylene,p-ethynylaniline,4-ethynylaniline,4-ethynyl-phenylamine,p-aminophenyl-acetylene
IUPAC Name	4-ethynylaniline
InChI Key	JXYITCJMBRETQX-UHFFFAOYSA-N
Molecular Formula	C₈H₇N

1-Hexadecyne, tech. 90%

CAS: 629-74-3 Molecular Formula: C16H30 Molecular Weight (g/mol): 222.42 MDL Number: MFCD00015084 InChI Key: UCIDYSLOTJMRAM-UHFFFAOYSA-N Synonym: 1-hexadecyne,tetradecylacetylene,acmc-209nbc PubChem CID: 12396 IUPAC Name: hexadec-1-yne SMILES: CCCCCCCCCCCCCCC#C

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PubChem CID	12396
CAS	629-74-3
Molecular Weight (g/mol)	222.42
MDL Number	MFCD00015084
SMILES	CCCCCCCCCCCCCCC#C
Synonym	1-hexadecyne,tetradecylacetylene,acmc-209nbc
IUPAC Name	hexadec-1-yne
InChI Key	UCIDYSLOTJMRAM-UHFFFAOYSA-N
Molecular Formula	C16H30

1-Phenyl-2-propyn-1-ol, 98%

CAS: 4187-87-5 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00021860 InChI Key: UIGLAZDLBZDVBL-UHFFFAOYSA-N Synonym: 1-phenyl-2-propyn-1-ol,1-phenylpropargyl alcohol,ethynylphenylcarbinol,phenylethynylcarbinol,2-propyn-1-ol, 1-phenyl,benzyl alcohol, .alpha.-ethynyl,benzenemethanol, .alpha.-ethynyl,alpha-ethynylbenzyl alcohol,alpha-ethynylbenzenemethanol,alpha-phenylpropargyl alcohol PubChem CID: 20155 IUPAC Name: 1-phenylprop-2-yn-1-ol SMILES: C#CC(C1=CC=CC=C1)O

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PubChem CID	20155
CAS	4187-87-5
Molecular Weight (g/mol)	132.162
MDL Number	MFCD00021860
SMILES	C#CC(C1=CC=CC=C1)O
Synonym	1-phenyl-2-propyn-1-ol,1-phenylpropargyl alcohol,ethynylphenylcarbinol,phenylethynylcarbinol,2-propyn-1-ol, 1-phenyl,benzyl alcohol, .alpha.-ethynyl,benzenemethanol, .alpha.-ethynyl,alpha-ethynylbenzyl alcohol,alpha-ethynylbenzenemethanol,alpha-phenylpropargyl alcohol
IUPAC Name	1-phenylprop-2-yn-1-ol
InChI Key	UIGLAZDLBZDVBL-UHFFFAOYSA-N
Molecular Formula	C9H8O

1,7-Octadiyne, 98%

CAS: 871-84-1 Molecular Formula: C8H10 Molecular Weight (g/mol): 106.17 MDL Number: MFCD00008580 InChI Key: DSOJWVLXZNRKCS-UHFFFAOYSA-N Synonym: 1,7-octadiyne,1,7 octadiyne,oct-1,7-diyne,acmc-209qii,3-thia-1,5-pentanediamine,1,7-octadiyne 10g,1,7-octadiyne 6ci, 7ci, 8ci, 9ci PubChem CID: 70099 IUPAC Name: octa-1,7-diyne SMILES: C#CCCCCC#C

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PubChem CID	70099
CAS	871-84-1
Molecular Weight (g/mol)	106.17
MDL Number	MFCD00008580
SMILES	C#CCCCCC#C
Synonym	1,7-octadiyne,1,7 octadiyne,oct-1,7-diyne,acmc-209qii,3-thia-1,5-pentanediamine,1,7-octadiyne 10g,1,7-octadiyne 6ci, 7ci, 8ci, 9ci
IUPAC Name	octa-1,7-diyne
InChI Key	DSOJWVLXZNRKCS-UHFFFAOYSA-N
Molecular Formula	C8H10

(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

Trimethylsilylacetylene, 98%

CAS: 1066-54-2 Molecular Formula: C5H10Si Molecular Weight (g/mol): 98.22 MDL Number: MFCD00008569 InChI Key: CWMFRHBXRUITQE-UHFFFAOYSA-N Synonym: trimethylsilylacetylene,trimethylsilyl acetylene,silane, ethynyltrimethyl,ethynyl-trimethyl-silane,ethynyl trimethyl silane,tms acetylene,ethynyltrimethyl silane,trimethylsilyl-acetylene,tmsacetylene PubChem CID: 66111 IUPAC Name: ethynyl(trimethyl)silane SMILES: C[Si](C)(C)C#C

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PubChem CID	66111
CAS	1066-54-2
Molecular Weight (g/mol)	98.22
MDL Number	MFCD00008569
SMILES	C[Si](C)(C)C#C
Synonym	trimethylsilylacetylene,trimethylsilyl acetylene,silane, ethynyltrimethyl,ethynyl-trimethyl-silane,ethynyl trimethyl silane,tms acetylene,ethynyltrimethyl silane,trimethylsilyl-acetylene,tmsacetylene
IUPAC Name	ethynyl(trimethyl)silane
InChI Key	CWMFRHBXRUITQE-UHFFFAOYSA-N
Molecular Formula	C5H10Si

4-Ethynylbenzonitrile, 97%

CAS: 3032-92-6 Molecular Formula: C9H5N Molecular Weight (g/mol): 127.146 MDL Number: MFCD04974058 InChI Key: LAGNMUUUMQJXBF-UHFFFAOYSA-N Synonym: 4-ethynyl-benzonitrile,4-cyanophenylacetylene,benzonitrile, 4-ethynyl,p-cyanophenylacetylene,4-ethynyl-bezonitrile,benzonitrile,4-ethynyl,4-ethynylbenzenecarbonitrile,4-ethynylbenzonitrile,ksc564s8b,benzonitrile, 4-ethynyl-9ci PubChem CID: 4547245 IUPAC Name: 4-ethynylbenzonitrile SMILES: C#CC1=CC=C(C=C1)C#N

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PubChem CID	4547245
CAS	3032-92-6
Molecular Weight (g/mol)	127.146
MDL Number	MFCD04974058
SMILES	C#CC1=CC=C(C=C1)C#N
Synonym	4-ethynyl-benzonitrile,4-cyanophenylacetylene,benzonitrile, 4-ethynyl,p-cyanophenylacetylene,4-ethynyl-bezonitrile,benzonitrile,4-ethynyl,4-ethynylbenzenecarbonitrile,4-ethynylbenzonitrile,ksc564s8b,benzonitrile, 4-ethynyl-9ci
IUPAC Name	4-ethynylbenzonitrile
InChI Key	LAGNMUUUMQJXBF-UHFFFAOYSA-N
Molecular Formula	C9H5N

3-Butyn-2-ol, 97%

CAS: 2028-63-9 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00004541 InChI Key: GKPOMITUDGXOSB-UHFFFAOYNA-N Synonym: 3-butyn-2-ol,3-butyne-2-ol,3-hydroxy-1-butyne,1-butyn-3-ol,1-methylpropargyl alcohol,methylethynylcarbinol,1-ethynylethanol,1-methyl-2-propynyl alcohol,alpha-methylpropargyl alcohol,dl-3-butyn-2-ol PubChem CID: 16239 IUPAC Name: but-3-yn-2-ol SMILES: CC(O)C#C

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PubChem CID	16239
CAS	2028-63-9
Molecular Weight (g/mol)	70.09
MDL Number	MFCD00004541
SMILES	CC(O)C#C
Synonym	3-butyn-2-ol,3-butyne-2-ol,3-hydroxy-1-butyne,1-butyn-3-ol,1-methylpropargyl alcohol,methylethynylcarbinol,1-ethynylethanol,1-methyl-2-propynyl alcohol,alpha-methylpropargyl alcohol,dl-3-butyn-2-ol
IUPAC Name	but-3-yn-2-ol
InChI Key	GKPOMITUDGXOSB-UHFFFAOYNA-N
Molecular Formula	C4H6O

1-Pentyn-3-ol, 98%

CAS: 4187-86-4 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00004572 InChI Key: LBSKEFWQPNVWTP-UHFFFAOYSA-N Synonym: 1-pentyn-3-ol,ethylethynylcarbinol,ethyl ethynyl carbinol,1-pentyne-3-ol,1-pentine-3-ol,3-hydroxy-1-pentine,ethynyl-ethyl carbinol,acmc-1agpc PubChem CID: 92981 IUPAC Name: pent-1-yn-3-ol SMILES: CCC(C#C)O

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PubChem CID	92981
CAS	4187-86-4
Molecular Weight (g/mol)	84.118
MDL Number	MFCD00004572
SMILES	CCC(C#C)O
Synonym	1-pentyn-3-ol,ethylethynylcarbinol,ethyl ethynyl carbinol,1-pentyne-3-ol,1-pentine-3-ol,3-hydroxy-1-pentine,ethynyl-ethyl carbinol,acmc-1agpc
IUPAC Name	pent-1-yn-3-ol
InChI Key	LBSKEFWQPNVWTP-UHFFFAOYSA-N
Molecular Formula	C5H8O

Cyclohexylacetylene, 98%

CAS: 931-48-6 Molecular Formula: C₈H₁₂ Molecular Weight (g/mol): 108.18 MDL Number: MFCD00001513 InChI Key: SSDZYLQUYMOSAK-UHFFFAOYSA-N Synonym: cyclohexylacetylene,cyclohexylethyne,cyclohexane, ethynyl,cyclohexyl acetylene,ethynyl-cyclohexane,cyclohexane, ethynyl-6ci, 7ci, 8ci, 9ci PubChem CID: 70263 IUPAC Name: ethynylcyclohexane SMILES: C#CC1CCCCC1

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PubChem CID	70263
CAS	931-48-6
Molecular Weight (g/mol)	108.18
MDL Number	MFCD00001513
SMILES	C#CC1CCCCC1
Synonym	cyclohexylacetylene,cyclohexylethyne,cyclohexane, ethynyl,cyclohexyl acetylene,ethynyl-cyclohexane,cyclohexane, ethynyl-6ci, 7ci, 8ci, 9ci
IUPAC Name	ethynylcyclohexane
InChI Key	SSDZYLQUYMOSAK-UHFFFAOYSA-N
Molecular Formula	C₈H₁₂

4-Methyl-1-pentyne, 97%

CAS: 7154-75-8 Molecular Formula: C6H10 Molecular Weight (g/mol): 82.15 MDL Number: MFCD00039857 InChI Key: OXRWICUICBZVAE-UHFFFAOYSA-N Synonym: 4-methyl-1-pentyne,1-pentyne, 4-methyl,isobutylacetylene,isobutylethyne,4-methylpentine,4-methylpentyne,4-methyl pentyne,isobutyl acetylene,4-methyl-pentyne,4-methyl-pent-1-yne PubChem CID: 138948 IUPAC Name: 4-methylpent-1-yne SMILES: CC(C)CC#C

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Specifications

PubChem CID	138948
CAS	7154-75-8
Molecular Weight (g/mol)	82.15
MDL Number	MFCD00039857
SMILES	CC(C)CC#C
Synonym	4-methyl-1-pentyne,1-pentyne, 4-methyl,isobutylacetylene,isobutylethyne,4-methylpentine,4-methylpentyne,4-methyl pentyne,isobutyl acetylene,4-methyl-pentyne,4-methyl-pent-1-yne
IUPAC Name	4-methylpent-1-yne
InChI Key	OXRWICUICBZVAE-UHFFFAOYSA-N
Molecular Formula	C6H10

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