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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

tert-Butyl isocyanide, 97%

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
2

tert-Butyl isocyanide, 98%

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
3

Benzyl isocyanide, 98%

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
4

n-Butyl isocyanide, 98+%

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
5

Methyl 3-(dimethylamino)-2-isocyanoacrylate, 96%

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
6

Diethyl isocyanomethylphosphonate, 97%

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