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Isocyanates

Organic compounds that contain a nitrogen atom bonded to a carbon atom that is bonded to an oxygen atom, both bonds are double bonds, in the following structure: R-N=C=O, where R is any carbon chain or group.
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1 – 15 of 61 results
1

6-Isocyanatochroman, 97%, Thermo Scientific™

CAS: 1002727-87-8 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD12198109 InChI Key: YNAWMZLOWDUDQF-UHFFFAOYSA-N Synonym: 6-isocyanatochroman,6-isocyanato-3,4-dihydro-2h-1-benzopyran,chroman-6-isocyanate PubChem CID: 43811033 IUPAC Name: 6-isocyanato-3,4-dihydro-2H-chromene SMILES: C1CC2=C(C=CC(=C2)N=C=O)OC1

PubChem CID 43811033
CAS 1002727-87-8
Molecular Weight (g/mol) 175.187
MDL Number MFCD12198109
SMILES C1CC2=C(C=CC(=C2)N=C=O)OC1
Synonym 6-isocyanatochroman,6-isocyanato-3,4-dihydro-2h-1-benzopyran,chroman-6-isocyanate
IUPAC Name 6-isocyanato-3,4-dihydro-2H-chromene
InChI Key YNAWMZLOWDUDQF-UHFFFAOYSA-N
Molecular Formula C10H9NO2
2

Sigma Aldrich 6-(Aminomethyl)-4-pyrimidinol dihydrochloride

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
3

Sigma Aldrich 6-Iodo-3-methyl-1H-indazole

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 1082041-53-9
4

Sigma Aldrich 2-(3-Cyanophenyl)benzimidazole-6-carboxylic acid

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
5

1,6-Diisocyanatohexane, 99+%

CAS: 822-06-0 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.20 MDL Number: MFCD00002047 InChI Key: RRAMGCGOFNQTLD-UHFFFAOYSA-N Synonym: hexamethylene diisocyanate,1,6-hexamethylene diisocyanate,hmdi,hexane, 1,6-diisocyanato,hexane 1,6-diisocyanate,1,6-hexylene diisocyanate,hexamethylene-1,6-diisocyanate,1,6-hexanediol diisocyanate,hdi,isocyanic acid, hexamethylene ester PubChem CID: 13192 ChEBI: CHEBI:53578 IUPAC Name: 1,6-diisocyanatohexane SMILES: O=C=NCCCCCCN=C=O

PubChem CID 13192
CAS 822-06-0
Molecular Weight (g/mol) 168.20
ChEBI CHEBI:53578
MDL Number MFCD00002047
SMILES O=C=NCCCCCCN=C=O
Synonym hexamethylene diisocyanate,1,6-hexamethylene diisocyanate,hmdi,hexane, 1,6-diisocyanato,hexane 1,6-diisocyanate,1,6-hexylene diisocyanate,hexamethylene-1,6-diisocyanate,1,6-hexanediol diisocyanate,hdi,isocyanic acid, hexamethylene ester
IUPAC Name 1,6-diisocyanatohexane
InChI Key RRAMGCGOFNQTLD-UHFFFAOYSA-N
Molecular Formula C8H12N2O2
6

1,5-Diisocyanatonaphthalene 98.0+%, TCI America™

CAS: 3173-72-6 Molecular Formula: C12H6N2O2 Molecular Weight (g/mol): 210.192 InChI Key: SBJCUZQNHOLYMD-UHFFFAOYSA-N Synonym: Naphthalene 1,5-Diisocyanate PubChem CID: 18503 ChEBI: CHEBI:82496 IUPAC Name: 1,5-diisocyanatonaphthalene SMILES: C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O

PubChem CID 18503
CAS 3173-72-6
Molecular Weight (g/mol) 210.192
ChEBI CHEBI:82496
SMILES C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O
Synonym Naphthalene 1,5-Diisocyanate
IUPAC Name 1,5-diisocyanatonaphthalene
InChI Key SBJCUZQNHOLYMD-UHFFFAOYSA-N
Molecular Formula C12H6N2O2
7

Benzyl Isocyanate 99.0+%, TCI America™

CAS: 3173-56-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00009701 InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N Synonym: benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate PubChem CID: 76639 IUPAC Name: (isocyanatomethyl)benzene SMILES: O=C=NCC1=CC=CC=C1

PubChem CID 76639
CAS 3173-56-6
Molecular Weight (g/mol) 133.15
MDL Number MFCD00009701
SMILES O=C=NCC1=CC=CC=C1
Synonym benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate
IUPAC Name (isocyanatomethyl)benzene
InChI Key YDNLNVZZTACNJX-UHFFFAOYSA-N
Molecular Formula C8H7NO
8

o-Tolyl Isocyanate 98.0+%, TCI America™

CAS: 614-68-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002009 InChI Key: VAYMIYBJLRRIFR-UHFFFAOYSA-N Synonym: o-tolyl isocyanate,2-methylphenyl isocyanate,2-tolyl isocyanate,o-methylphenyl isocyanate,o-toluene isocyanate,benzene, 1-isocyanato-2-methyl,2-methylphenylisocyanate,tolyl isocyanate,isocyanic acid, o-tolyl ester,o-tolylisocyanate PubChem CID: 69194 ChEBI: CHEBI:60099 IUPAC Name: 1-isocyanato-2-methylbenzene SMILES: CC1=CC=CC=C1N=C=O

PubChem CID 69194
CAS 614-68-6
Molecular Weight (g/mol) 133.15
ChEBI CHEBI:60099
MDL Number MFCD00002009
SMILES CC1=CC=CC=C1N=C=O
Synonym o-tolyl isocyanate,2-methylphenyl isocyanate,2-tolyl isocyanate,o-methylphenyl isocyanate,o-toluene isocyanate,benzene, 1-isocyanato-2-methyl,2-methylphenylisocyanate,tolyl isocyanate,isocyanic acid, o-tolyl ester,o-tolylisocyanate
IUPAC Name 1-isocyanato-2-methylbenzene
InChI Key VAYMIYBJLRRIFR-UHFFFAOYSA-N
Molecular Formula C8H7NO
9

2,6-Dichlorophenyl Isocyanate 98.0+%, TCI America™

CAS: 39920-37-1 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.007 MDL Number: MFCD00002003 InChI Key: HMVKMAMIRAVXAN-UHFFFAOYSA-N Synonym: 2,6-dichlorophenyl isocyanate,benzene, 1,3-dichloro-2-isocyanato,2,6-dichlorophenylisocyanate,isocyanic acid 2,6-dichlorophenyl ester,pubchem23916,acmc-1ailv,2,6 dichlorophenylisocyanate,2,6-dichlorobenzenisocyanate,2,6dichlorophenyl isocyanate,1,3-dichloro-2-isocyanato-benzene PubChem CID: 604537 IUPAC Name: 1,3-dichloro-2-isocyanatobenzene SMILES: C1=CC(=C(C(=C1)Cl)N=C=O)Cl

PubChem CID 604537
CAS 39920-37-1
Molecular Weight (g/mol) 188.007
MDL Number MFCD00002003
SMILES C1=CC(=C(C(=C1)Cl)N=C=O)Cl
Synonym 2,6-dichlorophenyl isocyanate,benzene, 1,3-dichloro-2-isocyanato,2,6-dichlorophenylisocyanate,isocyanic acid 2,6-dichlorophenyl ester,pubchem23916,acmc-1ailv,2,6 dichlorophenylisocyanate,2,6-dichlorobenzenisocyanate,2,6dichlorophenyl isocyanate,1,3-dichloro-2-isocyanato-benzene
IUPAC Name 1,3-dichloro-2-isocyanatobenzene
InChI Key HMVKMAMIRAVXAN-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NO
10

Hexamethylene Diisocyanate 98.0+%, TCI America™

CAS: 822-06-0 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.20 MDL Number: MFCD00002047 InChI Key: RRAMGCGOFNQTLD-UHFFFAOYSA-N Synonym: hexamethylene diisocyanate,1,6-hexamethylene diisocyanate,hmdi,hexane, 1,6-diisocyanato,hexane 1,6-diisocyanate,1,6-hexylene diisocyanate,hexamethylene-1,6-diisocyanate,1,6-hexanediol diisocyanate,hdi,isocyanic acid, hexamethylene ester PubChem CID: 13192 ChEBI: CHEBI:53578 IUPAC Name: 1,6-diisocyanatohexane SMILES: O=C=NCCCCCCN=C=O

PubChem CID 13192
CAS 822-06-0
Molecular Weight (g/mol) 168.20
ChEBI CHEBI:53578
MDL Number MFCD00002047
SMILES O=C=NCCCCCCN=C=O
Synonym hexamethylene diisocyanate,1,6-hexamethylene diisocyanate,hmdi,hexane, 1,6-diisocyanato,hexane 1,6-diisocyanate,1,6-hexylene diisocyanate,hexamethylene-1,6-diisocyanate,1,6-hexanediol diisocyanate,hdi,isocyanic acid, hexamethylene ester
IUPAC Name 1,6-diisocyanatohexane
InChI Key RRAMGCGOFNQTLD-UHFFFAOYSA-N
Molecular Formula C8H12N2O2
11

Cyclopentyl isocyanate, 97%

CAS: 4747-71-1 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD02093695 InChI Key: CZALJDQHONFVFU-UHFFFAOYSA-N Synonym: cyclopentyl isocyanate,cyclopentylisocyanate,cyclopentane, isocyanato,isocyanic acid cyclopentyl ester,isocyanato cyclopentane,isocyanato-cyclopentane,acmc-1aspa,ksc497s6f PubChem CID: 643500 IUPAC Name: isocyanatocyclopentane SMILES: C1CCC(C1)N=C=O

PubChem CID 643500
CAS 4747-71-1
Molecular Weight (g/mol) 111.14
MDL Number MFCD02093695
SMILES C1CCC(C1)N=C=O
Synonym cyclopentyl isocyanate,cyclopentylisocyanate,cyclopentane, isocyanato,isocyanic acid cyclopentyl ester,isocyanato cyclopentane,isocyanato-cyclopentane,acmc-1aspa,ksc497s6f
IUPAC Name isocyanatocyclopentane
InChI Key CZALJDQHONFVFU-UHFFFAOYSA-N
Molecular Formula C6H9NO
12

Benzyl isocyanate, 98%

CAS: 3173-56-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00009701 InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N Synonym: benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate PubChem CID: 76639 IUPAC Name: isocyanatomethylbenzene SMILES: O=C=NCC1=CC=CC=C1

PubChem CID 76639
CAS 3173-56-6
Molecular Weight (g/mol) 133.15
MDL Number MFCD00009701
SMILES O=C=NCC1=CC=CC=C1
Synonym benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate
IUPAC Name isocyanatomethylbenzene
InChI Key YDNLNVZZTACNJX-UHFFFAOYSA-N
Molecular Formula C8H7NO
13

(S)-(-)-alpha-Methylbenzyl isocyanate, 98%

CAS: 14649-03-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00002036 InChI Key: JJSCUXAFAJEQGB-QMMMGPOBSA-N Synonym: s---1-phenylethyl isocyanate,1s-1-isocyanatoethyl benzene,s---alpha-methylbenzyl isocyanate,benzene, 1s-1-isocyanatoethyl,isocyanic acid s---a-methylbenzyl ester,s-alpha-methylbenzyl isocyanate,s---1-phenylethylisocyanate,isocyanic acid s---alpha-methylbenzyl ester,isocyanic acid s---methylbenzyl ester,1-isocyanatoethyl benzene # PubChem CID: 2724173 IUPAC Name: [(1S)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=CC=C1)N=C=O

PubChem CID 2724173
CAS 14649-03-7
Molecular Weight (g/mol) 147.18
MDL Number MFCD00002036
SMILES CC(C1=CC=CC=C1)N=C=O
Synonym s---1-phenylethyl isocyanate,1s-1-isocyanatoethyl benzene,s---alpha-methylbenzyl isocyanate,benzene, 1s-1-isocyanatoethyl,isocyanic acid s---a-methylbenzyl ester,s-alpha-methylbenzyl isocyanate,s---1-phenylethylisocyanate,isocyanic acid s---alpha-methylbenzyl ester,isocyanic acid s---methylbenzyl ester,1-isocyanatoethyl benzene #
IUPAC Name [(1S)-1-isocyanatoethyl]benzene
InChI Key JJSCUXAFAJEQGB-QMMMGPOBSA-N
Molecular Formula C9H9NO
14

Benzyl isocyanate, 99+%

CAS: 3173-56-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00009701 InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N Synonym: benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate PubChem CID: 76639 IUPAC Name: isocyanatomethylbenzene SMILES: O=C=NCC1=CC=CC=C1

PubChem CID 76639
CAS 3173-56-6
Molecular Weight (g/mol) 133.15
MDL Number MFCD00009701
SMILES O=C=NCC1=CC=CC=C1
Synonym benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate
IUPAC Name isocyanatomethylbenzene
InChI Key YDNLNVZZTACNJX-UHFFFAOYSA-N
Molecular Formula C8H7NO
15

3-Cyanophenyl isocyanate, 97%

CAS: 16413-26-6 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.13 MDL Number: MFCD00013856 InChI Key: NZHPVPMRNASEQK-UHFFFAOYSA-N Synonym: 3-cyanophenyl isocyanate,3-cyanophenylisocyanate,benzonitrile, 3-isocyanato,3-isocyanatobenzenecarbonitrile,m-cyanophenyl isocyanate,m-cyanophenylisocyanate,pubchem5028,3-isocyanato-benzonitrile,acmc-1c7a7,paragos 331038 PubChem CID: 2733315 IUPAC Name: 3-isocyanatobenzonitrile SMILES: C1=CC(=CC(=C1)N=C=O)C#N

PubChem CID 2733315
CAS 16413-26-6
Molecular Weight (g/mol) 144.13
MDL Number MFCD00013856
SMILES C1=CC(=CC(=C1)N=C=O)C#N
Synonym 3-cyanophenyl isocyanate,3-cyanophenylisocyanate,benzonitrile, 3-isocyanato,3-isocyanatobenzenecarbonitrile,m-cyanophenyl isocyanate,m-cyanophenylisocyanate,pubchem5028,3-isocyanato-benzonitrile,acmc-1c7a7,paragos 331038
IUPAC Name 3-isocyanatobenzonitrile
InChI Key NZHPVPMRNASEQK-UHFFFAOYSA-N
Molecular Formula C8H4N2O