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Organic isocyanides

Organic isocyanides

Organic compounds that contain a nitrogen atom bonded to a carbon atom via a triple bond in the following structure: R-N≡C, where R is any carbon chain or group. They are isomers of organic cyanides/nitriles.
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1 – 9 of 9 results
1

tert-Butyl isocyanide, 97%, Thermo Scientific Chemicals

CAS: 7188-38-7 Molecular Formula: C5H9N Molecular Weight (g/mol): 83.13 MDL Number: MFCD00000002 InChI Key: FAGLEPBREOXSAC-UHFFFAOYSA-N Synonym: tert-butyl isocyanide,tert-butylisocyanide,t-butylisonitrile,tert-butylisonitrile,tbin,propane, 2-isocyano-2-methyl,2-methyl-2-isocyanopropane,2-methylpropyl isocyanide,t-butyl isocyanide,2-isocyano-2-methyl-propane PubChem CID: 23577 IUPAC Name: 2-isocyano-2-methylpropane SMILES: CC(C)(C)[N+]#[C-]

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PubChem CID 23577
CAS 7188-38-7
Molecular Weight (g/mol) 83.13
MDL Number MFCD00000002
SMILES CC(C)(C)[N+]#[C-]
Synonym tert-butyl isocyanide,tert-butylisocyanide,t-butylisonitrile,tert-butylisonitrile,tbin,propane, 2-isocyano-2-methyl,2-methyl-2-isocyanopropane,2-methylpropyl isocyanide,t-butyl isocyanide,2-isocyano-2-methyl-propane
IUPAC Name 2-isocyano-2-methylpropane
InChI Key FAGLEPBREOXSAC-UHFFFAOYSA-N
Molecular Formula C5H9N
2

tert-Butyl isocyanide, 98%, Thermo Scientific Chemicals

CAS: 7188-38-7 Molecular Formula: C5H9N Molecular Weight (g/mol): 83.134 MDL Number: MFCD00000002 InChI Key: FAGLEPBREOXSAC-UHFFFAOYSA-N Synonym: tert-butyl isocyanide,tert-butylisocyanide,t-butylisonitrile,tert-butylisonitrile,tbin,propane, 2-isocyano-2-methyl,2-methyl-2-isocyanopropane,2-methylpropyl isocyanide,t-butyl isocyanide,2-isocyano-2-methyl-propane PubChem CID: 23577 IUPAC Name: 2-isocyano-2-methylpropane SMILES: CC(C)(C)[N+]#[C-]

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PubChem CID 23577
CAS 7188-38-7
Molecular Weight (g/mol) 83.134
MDL Number MFCD00000002
SMILES CC(C)(C)[N+]#[C-]
Synonym tert-butyl isocyanide,tert-butylisocyanide,t-butylisonitrile,tert-butylisonitrile,tbin,propane, 2-isocyano-2-methyl,2-methyl-2-isocyanopropane,2-methylpropyl isocyanide,t-butyl isocyanide,2-isocyano-2-methyl-propane
IUPAC Name 2-isocyano-2-methylpropane
InChI Key FAGLEPBREOXSAC-UHFFFAOYSA-N
Molecular Formula C5H9N
3

Cyclopentyl isocyanide, 96%, Thermo Scientific Chemicals

CAS: 68498-54-4 Molecular Formula: C6H9N Molecular Weight (g/mol): 95.14 InChI Key: XTLSDEJNOQVCHL-UHFFFAOYSA-N Synonym: cyclopentyl isocyanide,cyclopentylisocyanide,isocyano-cyclopentan,isocyano-cyclopentane,cyclopentyl isonitrile,3-isocyano-cyclopentane,acmc-1bgsw,tos-bb-0762 PubChem CID: 2734784 IUPAC Name: isocyanocyclopentane SMILES: [C-]#[N+]C1CCCC1

PubChem CID 2734784
CAS 68498-54-4
Molecular Weight (g/mol) 95.14
SMILES [C-]#[N+]C1CCCC1
Synonym cyclopentyl isocyanide,cyclopentylisocyanide,isocyano-cyclopentan,isocyano-cyclopentane,cyclopentyl isonitrile,3-isocyano-cyclopentane,acmc-1bgsw,tos-bb-0762
IUPAC Name isocyanocyclopentane
InChI Key XTLSDEJNOQVCHL-UHFFFAOYSA-N
Molecular Formula C6H9N
4

Benzyl isocyanide, 98%, Thermo Scientific Chemicals

CAS: 10340-91-7 Molecular Formula: C8H7N Molecular Weight (g/mol): 117.15 MDL Number: MFCD00000004 InChI Key: RIWNFZUWWRVGEU-UHFFFAOYSA-N Synonym: benzyl isocyanide,isocyanomethyl benzene,benzylisocyanide,benzene, isocyanomethyl,benzyl isonitrile,benzylimino methylidene,benzylisonitrile,benzylisonit-rile,isocyanomethylbenzol,isocyanomethyl-benzene PubChem CID: 82558 IUPAC Name: isocyanomethylbenzene SMILES: [C-]#[N+]CC1=CC=CC=C1

PubChem CID 82558
CAS 10340-91-7
Molecular Weight (g/mol) 117.15
MDL Number MFCD00000004
SMILES [C-]#[N+]CC1=CC=CC=C1
Synonym benzyl isocyanide,isocyanomethyl benzene,benzylisocyanide,benzene, isocyanomethyl,benzyl isonitrile,benzylimino methylidene,benzylisonitrile,benzylisonit-rile,isocyanomethylbenzol,isocyanomethyl-benzene
IUPAC Name isocyanomethylbenzene
InChI Key RIWNFZUWWRVGEU-UHFFFAOYSA-N
Molecular Formula C8H7N
5

alpha-(p-Toluenesulfonyl)-4-fluorobenzylisonitrile, 97%, Thermo Scientific™

CAS: 165806-95-1 Molecular Formula: C15H12FNO2S Molecular Weight (g/mol): 289.32 MDL Number: MFCD03787932 InChI Key: UXCQPEDHCCJBNL-UHFFFAOYNA-N Synonym: a-tosyl-4-fluorobenzyl isocyanide,1-fluoro-4-isocyano tosyl methyl benzene,alpha-p-toluenesulfonyl-4-fluorobenzylisonitrile,a-p-toluenesulfonyl-4-fluorobenzylisonitrile,4-fluorophenyl isocyano methyl 4-methylphenyl sulphone,alpha-4-methylphenyl sulphonyl-4-fluorobenzylisonitrile,alpha-tosyl-4-fluorobenzyl isocyanide,alpha-p-toluenesulfonyl-4-fluorobezylisonitrile,1-4-fluorophenyl-1-tosyl methyl isocyanide PubChem CID: 10827289 IUPAC Name: 1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C([N+]#[C-])C1=CC=C(F)C=C1

PubChem CID 10827289
CAS 165806-95-1
Molecular Weight (g/mol) 289.32
MDL Number MFCD03787932
SMILES CC1=CC=C(C=C1)S(=O)(=O)C([N+]#[C-])C1=CC=C(F)C=C1
Synonym a-tosyl-4-fluorobenzyl isocyanide,1-fluoro-4-isocyano tosyl methyl benzene,alpha-p-toluenesulfonyl-4-fluorobenzylisonitrile,a-p-toluenesulfonyl-4-fluorobenzylisonitrile,4-fluorophenyl isocyano methyl 4-methylphenyl sulphone,alpha-4-methylphenyl sulphonyl-4-fluorobenzylisonitrile,alpha-tosyl-4-fluorobenzyl isocyanide,alpha-p-toluenesulfonyl-4-fluorobezylisonitrile,1-4-fluorophenyl-1-tosyl methyl isocyanide
IUPAC Name 1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
InChI Key UXCQPEDHCCJBNL-UHFFFAOYNA-N
Molecular Formula C15H12FNO2S
6

Methyl 3-(dimethylamino)-2-isocyanoacrylate, 96%, Thermo Scientific Chemicals

CAS: 113212-14-9 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 InChI Key: FREGRQYTSPAJDX-AATRIKPKSA-N Synonym: 3-dimethylamino-2-isocyanoacrylic acid methyl ester,methyl e-3-dimethylamino-2-isocyanoprop-2-enoate,methyl 2e-3-dimethylamino-2-isocyanoprop-2-enoate PubChem CID: 6387542 IUPAC Name: methyl (E)-3-(dimethylamino)-2-isocyanoprop-2-enoate SMILES: CN(C)C=C(C(=O)OC)[N+]#[C-]

PubChem CID 6387542
CAS 113212-14-9
Molecular Weight (g/mol) 154.17
SMILES CN(C)C=C(C(=O)OC)[N+]#[C-]
Synonym 3-dimethylamino-2-isocyanoacrylic acid methyl ester,methyl e-3-dimethylamino-2-isocyanoprop-2-enoate,methyl 2e-3-dimethylamino-2-isocyanoprop-2-enoate
IUPAC Name methyl (E)-3-(dimethylamino)-2-isocyanoprop-2-enoate
InChI Key FREGRQYTSPAJDX-AATRIKPKSA-N
Molecular Formula C7H10N2O2
7

Cyclohexyl isocyanide, 99%, Thermo Scientific Chemicals

CAS: 931-53-3 Molecular Formula: C7H11N Molecular Weight (g/mol): 109.17 MDL Number: MFCD00003839 InChI Key: XYZMOVWWVXBHDP-UHFFFAOYSA-N Synonym: cyclohexyl isocyanide,cyclohexane, isocyano,cyclohexylisocyanide,cyclohexaneisonitrile,cyclohexyl isonitrile,n-cyclohexylisocyanide,cyi,cyclohexylisonitrile,isocyano-cyclohexane,cyclohexyliminocarbene PubChem CID: 79129 ChEBI: CHEBI:17966 IUPAC Name: isocyanocyclohexane SMILES: [C-]#[N+]C1CCCCC1

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PubChem CID 79129
CAS 931-53-3
Molecular Weight (g/mol) 109.17
ChEBI CHEBI:17966
MDL Number MFCD00003839
SMILES [C-]#[N+]C1CCCCC1
Synonym cyclohexyl isocyanide,cyclohexane, isocyano,cyclohexylisocyanide,cyclohexaneisonitrile,cyclohexyl isonitrile,n-cyclohexylisocyanide,cyi,cyclohexylisonitrile,isocyano-cyclohexane,cyclohexyliminocarbene
IUPAC Name isocyanocyclohexane
InChI Key XYZMOVWWVXBHDP-UHFFFAOYSA-N
Molecular Formula C7H11N
8

n-Butyl isocyanide, 98+%, Thermo Scientific Chemicals

CAS: 2769-64-4 Molecular Formula: C5H9N Molecular Weight (g/mol): 83.13 MDL Number: MFCD00000008 InChI Key: FSBLVBBRXSCOKU-UHFFFAOYSA-N Synonym: n-butyl isocyanide,butyl isocyanide,1-butylisocyanide,n-butylisocyanide,bu-tylisonitrile,n-butylisonitrile,n-butyl isonitrile,butane,1-isocyano PubChem CID: 76008 IUPAC Name: 1-isocyanobutane SMILES: CCCC[N+]#[C-]

PubChem CID 76008
CAS 2769-64-4
Molecular Weight (g/mol) 83.13
MDL Number MFCD00000008
SMILES CCCC[N+]#[C-]
Synonym n-butyl isocyanide,butyl isocyanide,1-butylisocyanide,n-butylisocyanide,bu-tylisonitrile,n-butylisonitrile,n-butyl isonitrile,butane,1-isocyano
IUPAC Name 1-isocyanobutane
InChI Key FSBLVBBRXSCOKU-UHFFFAOYSA-N
Molecular Formula C5H9N
9

Diethyl isocyanomethylphosphonate, 97%, Thermo Scientific Chemicals

CAS: 41003-94-5 Molecular Formula: C6H12NO3P Molecular Weight (g/mol): 177.14 MDL Number: MFCD00042951 InChI Key: ICURVXBGGDVHDT-UHFFFAOYSA-N Synonym: diethyl isocyanomethylphosphonate,diethylisocyanomethylphosphonate,acmc-20al8q,diethoxycarbonyl methanisocyanide,diethyl isocyanomethyl phosphonate,diethoxyphosphinylmethyl isocyanide,isocyanomethylphosphonic acid diethyl ester,isocyanomethylphosphononic acid diethyl ester,1-ethoxy isocyanomethyl phosphoryl oxyethane PubChem CID: 2734699 IUPAC Name: 1-[ethoxy(isocyanomethyl)phosphoryl]oxyethane SMILES: CCOP(=O)(C[N+]#[C-])OCC

PubChem CID 2734699
CAS 41003-94-5
Molecular Weight (g/mol) 177.14
MDL Number MFCD00042951
SMILES CCOP(=O)(C[N+]#[C-])OCC
Synonym diethyl isocyanomethylphosphonate,diethylisocyanomethylphosphonate,acmc-20al8q,diethoxycarbonyl methanisocyanide,diethyl isocyanomethyl phosphonate,diethoxyphosphinylmethyl isocyanide,isocyanomethylphosphonic acid diethyl ester,isocyanomethylphosphononic acid diethyl ester,1-ethoxy isocyanomethyl phosphoryl oxyethane
IUPAC Name 1-[ethoxy(isocyanomethyl)phosphoryl]oxyethane
InChI Key ICURVXBGGDVHDT-UHFFFAOYSA-N
Molecular Formula C6H12NO3P