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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 – 15 of 31 results
1

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
2

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
3

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-]

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
4

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

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
5

1-Isocyanoadamantane 97.0+%, TCI America™
SDP

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
6

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
7

1-(Isocyanomethyl)-1H-benzotriazole 97.0+%, TCI America™
SDP

CAS: 87022-42-2 Molecular Formula: C8H6N4 Molecular Weight (g/mol): 158.164 MDL Number: MFCD00961633 InChI Key: YZTNZXMSOPEFKC-UHFFFAOYSA-N Synonym: (1H-Benzotriazol-1-yl)methyl Isocyanide, 1-(Isocyanidomethyl)-1H-benzotriazole PubChem CID: 3832111 IUPAC Name: 1-(isocyanomethyl)benzotriazole SMILES: [C-]#[N+]CN1C2=CC=CC=C2N=N1

PubChem CID 3832111
CAS 87022-42-2
Molecular Weight (g/mol) 158.164
MDL Number MFCD00961633
SMILES [C-]#[N+]CN1C2=CC=CC=C2N=N1
Synonym (1H-Benzotriazol-1-yl)methyl Isocyanide, 1-(Isocyanidomethyl)-1H-benzotriazole
IUPAC Name 1-(isocyanomethyl)benzotriazole
InChI Key YZTNZXMSOPEFKC-UHFFFAOYSA-N
Molecular Formula C8H6N4
8

Cyclohexyl Isocyanide 98.0+%, TCI America™
SDP

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
9

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-]

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
10

Benzyl Isocyanide 96.0+%, TCI America™
SDP

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
11

tert-Butyl Isocyanide 95.0+%, TCI America™
SDP

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
12

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

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
13

alpha-(p-Toluenesulfonyl)benzyl Isocyanide 98.0+%, TCI America™
SDP

CAS: 36635-66-2 Molecular Formula: C15H13NO2S Molecular Weight (g/mol): 271.334 MDL Number: MFCD04114776 InChI Key: KIJCBVOPJSHLBI-UHFFFAOYSA-N Synonym: alpha-Tosylbenzyl Isocyanide PubChem CID: 10967613 IUPAC Name: 1-[isocyano(phenyl)methyl]sulfonyl-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)[N+]#[C-]

PubChem CID 10967613
CAS 36635-66-2
Molecular Weight (g/mol) 271.334
MDL Number MFCD04114776
SMILES CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)[N+]#[C-]
Synonym alpha-Tosylbenzyl Isocyanide
IUPAC Name 1-[isocyano(phenyl)methyl]sulfonyl-4-methylbenzene
InChI Key KIJCBVOPJSHLBI-UHFFFAOYSA-N
Molecular Formula C15H13NO2S
14

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
15

Cyclopentyl Isocyanide 98.0+%, TCI America™
SDP

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