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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

1-Isocyanoadamantane 97.0+%, TCI America™

CAS: 22110-53-8 Molecular Formula: C11H15N Molecular Weight (g/mol): 161.25 MDL Number: MFCD02258889 InChI Key: RPRJRJNIFAYHRF-UHFFFAOYSA-N Synonym: 1-Adamantyl Isocyanide PubChem CID: 140885 IUPAC Name: 1-isocyanoadamantane SMILES: [C-]#[N+]C12CC3CC(CC(C3)C1)C2

PubChem CID 140885
CAS 22110-53-8
Molecular Weight (g/mol) 161.25
MDL Number MFCD02258889
SMILES [C-]#[N+]C12CC3CC(CC(C3)C1)C2
Synonym 1-Adamantyl Isocyanide
IUPAC Name 1-isocyanoadamantane
InChI Key RPRJRJNIFAYHRF-UHFFFAOYSA-N
Molecular Formula C11H15N
2

Cyclohexyl Isocyanide 98.0+%, TCI America™

CAS: 931-53-3 Molecular Formula: C7H11N Molecular Weight (g/mol): 109.172 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

PubChem CID 79129
CAS 931-53-3
Molecular Weight (g/mol) 109.172
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
3

Benzyl Isocyanide 96.0+%, TCI America™

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: (isocyanomethyl)benzene 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 (isocyanomethyl)benzene
InChI Key RIWNFZUWWRVGEU-UHFFFAOYSA-N
Molecular Formula C8H7N
4

1,1,3,3-Tetramethylbutyl Isocyanide 95.0+%, TCI America™

CAS: 14542-93-9 Molecular Formula: C9H17N Molecular Weight (g/mol): 139.242 MDL Number: MFCD00000003 InChI Key: YVPXQMYCTGCWBE-UHFFFAOYSA-N PubChem CID: 26725 IUPAC Name: 2-isocyano-2,4,4-trimethylpentane SMILES: CC(C)(C)CC(C)(C)[N+]#[C-]

PubChem CID 26725
CAS 14542-93-9
Molecular Weight (g/mol) 139.242
MDL Number MFCD00000003
SMILES CC(C)(C)CC(C)(C)[N+]#[C-]
IUPAC Name 2-isocyano-2,4,4-trimethylpentane
InChI Key YVPXQMYCTGCWBE-UHFFFAOYSA-N
Molecular Formula C9H17N
5

Cyclopentyl Isocyanide 98.0+%, TCI America™

CAS: 68498-54-4 Molecular Formula: C6H9N Molecular Weight (g/mol): 95.145 MDL Number: MFCD02664624 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) 95.145
MDL Number MFCD02664624
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
6

tert-Butyl Isocyanide 95.0+%, TCI America™

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-]

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