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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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Percent Purity

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Search Within Results
Keyword Search:
1 – 15 of 114 results
1

(S)-(-)-α-Methylbenzyl isocyanate, ≥99.0% (sum of enantiomers, GC), MilliporeSigma™ Supelco™

MDL Number: MFCD00002036 Synonym: (S)-(-)-1-Phenylethyl isocyanate

MDL Number MFCD00002036
Synonym (S)-(-)-1-Phenylethyl isocyanate
2
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1-Naphthyl isocyanate, 99%

CAS: 86-84-0 InChI Key: BDQNKCYCTYYMAA-UHFFFAOYSA-N Synonym: 1-naphthyl isocyanate,naphthalene, 1-isocyanato,alpha-naphthyl isocyanate,isocyanatonaphthalene,1-naphthylisocyanate,1-isocyanato-naphthalene,unii-5lh2p0691e,1-isocyanatonapthalene,isocyanic acid 1-naphthyl ester,isocyanic acid, 1-naphthyl ester PubChem CID: 66589 IUPAC Name: 1-isocyanatonaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2N=C=O

PubChem CID 66589
CAS 86-84-0
SMILES C1=CC=C2C(=C1)C=CC=C2N=C=O
Synonym 1-naphthyl isocyanate,naphthalene, 1-isocyanato,alpha-naphthyl isocyanate,isocyanatonaphthalene,1-naphthylisocyanate,1-isocyanato-naphthalene,unii-5lh2p0691e,1-isocyanatonapthalene,isocyanic acid 1-naphthyl ester,isocyanic acid, 1-naphthyl ester
IUPAC Name 1-isocyanatonaphthalene
InChI Key BDQNKCYCTYYMAA-UHFFFAOYSA-N
3
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2,4,6-Trimethylphenyl isocyanate, 98%

CAS: 2958-62-5 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00019909 InChI Key: HJHZRZFONUPQAA-UHFFFAOYSA-N Synonym: 2,4,6-trimethylphenyl isocyanate,mesityl isocyanate,2,4,6-trimethylphenylisocyanate,acmc-1ckns,2,4,6-trimethylbenzenisocyanate,2-isocyanato-1,3,5-trimethyl-benzene,# PubChem CID: 595239 IUPAC Name: 2-isocyanato-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)N=C=O)C

PubChem CID 595239
CAS 2958-62-5
Molecular Weight (g/mol) 161.204
MDL Number MFCD00019909
SMILES CC1=CC(=C(C(=C1)C)N=C=O)C
Synonym 2,4,6-trimethylphenyl isocyanate,mesityl isocyanate,2,4,6-trimethylphenylisocyanate,acmc-1ckns,2,4,6-trimethylbenzenisocyanate,2-isocyanato-1,3,5-trimethyl-benzene,#
IUPAC Name 2-isocyanato-1,3,5-trimethylbenzene
InChI Key HJHZRZFONUPQAA-UHFFFAOYSA-N
Molecular Formula C10H11NO
4
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1,4-Diisocyanatobutane, 97%

CAS: 4538-37-8 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00075559 InChI Key: OVBFMUAFNIIQAL-UHFFFAOYSA-N PubChem CID: 350453 IUPAC Name: 1,4-diisocyanatobutane SMILES: C(CCN=C=O)CN=C=O

PubChem CID 350453
CAS 4538-37-8
Molecular Weight (g/mol) 140.14
MDL Number MFCD00075559
SMILES C(CCN=C=O)CN=C=O
IUPAC Name 1,4-diisocyanatobutane
InChI Key OVBFMUAFNIIQAL-UHFFFAOYSA-N
Molecular Formula C6H8N2O2
5
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1-Naphthyl isocyanate, 98%

CAS: 86-84-0 Molecular Formula: C11H7NO MDL Number: MFCD00003881 InChI Key: BDQNKCYCTYYMAA-UHFFFAOYSA-N Synonym: 1-naphthyl isocyanate,naphthalene, 1-isocyanato,alpha-naphthyl isocyanate,isocyanatonaphthalene,1-naphthylisocyanate,1-isocyanato-naphthalene,unii-5lh2p0691e,1-isocyanatonapthalene,isocyanic acid 1-naphthyl ester,isocyanic acid, 1-naphthyl ester PubChem CID: 66589 IUPAC Name: 1-isocyanatonaphthalene

PubChem CID 66589
CAS 86-84-0
MDL Number MFCD00003881
Synonym 1-naphthyl isocyanate,naphthalene, 1-isocyanato,alpha-naphthyl isocyanate,isocyanatonaphthalene,1-naphthylisocyanate,1-isocyanato-naphthalene,unii-5lh2p0691e,1-isocyanatonapthalene,isocyanic acid 1-naphthyl ester,isocyanic acid, 1-naphthyl ester
IUPAC Name 1-isocyanatonaphthalene
InChI Key BDQNKCYCTYYMAA-UHFFFAOYSA-N
Molecular Formula C11H7NO
6
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2-Chloroethyl isocyanate, 97%

CAS: 1943-83-5 Molecular Formula: C3H4ClNO Molecular Weight (g/mol): 105.521 MDL Number: MFCD00002043 InChI Key: BCMYXYHEMGPZJN-UHFFFAOYSA-N Synonym: 2-chloroethyl isocyanate,2-chloroethylisocyanate,chloroethylisocyanate,ethane, 1-chloro-2-isocyanato,2-chlorethylisokyanat,2-chloro ethyl isocyanate,isocyanic acid, 2-chloroethyl ester,1-chloro-2-isocyanato-ethane,2-chlorethylisokyanat czech,.beta.-chloroethylisocyanate PubChem CID: 16035 IUPAC Name: 1-chloro-2-isocyanatoethane SMILES: C(CCl)N=C=O

PubChem CID 16035
CAS 1943-83-5
Molecular Weight (g/mol) 105.521
MDL Number MFCD00002043
SMILES C(CCl)N=C=O
Synonym 2-chloroethyl isocyanate,2-chloroethylisocyanate,chloroethylisocyanate,ethane, 1-chloro-2-isocyanato,2-chlorethylisokyanat,2-chloro ethyl isocyanate,isocyanic acid, 2-chloroethyl ester,1-chloro-2-isocyanato-ethane,2-chlorethylisokyanat czech,.beta.-chloroethylisocyanate
IUPAC Name 1-chloro-2-isocyanatoethane
InChI Key BCMYXYHEMGPZJN-UHFFFAOYSA-N
Molecular Formula C3H4ClNO
7
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2-Ethylphenyl isocyanate, 99%

CAS: 40411-25-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00002013 InChI Key: ZVFNUQWYLXXSJM-UHFFFAOYSA-N Synonym: 2-ethylphenyl isocyanate,2-ethylphenylisocyanate,o-ethylphenyl isocyanate,benzene, ethylisocyanato,2-ethylbenzenisocyanate,2-eth-ylphenyl isocyanate,2-ethyl phenyl isocyanate,2-ethyl-phenyl isocyanate,acmc-1amc4,1-ethyl-2-isocyanato-benzene PubChem CID: 583486 IUPAC Name: 1-ethyl-2-isocyanatobenzene SMILES: CCC1=CC=CC=C1N=C=O

PubChem CID 583486
CAS 40411-25-4
Molecular Weight (g/mol) 147.177
MDL Number MFCD00002013
SMILES CCC1=CC=CC=C1N=C=O
Synonym 2-ethylphenyl isocyanate,2-ethylphenylisocyanate,o-ethylphenyl isocyanate,benzene, ethylisocyanato,2-ethylbenzenisocyanate,2-eth-ylphenyl isocyanate,2-ethyl phenyl isocyanate,2-ethyl-phenyl isocyanate,acmc-1amc4,1-ethyl-2-isocyanato-benzene
IUPAC Name 1-ethyl-2-isocyanatobenzene
InChI Key ZVFNUQWYLXXSJM-UHFFFAOYSA-N
Molecular Formula C9H9NO
8
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1,1,3,3-Tetramethylbutyl isocyanate, 98%

CAS: 1611-57-0 Molecular Formula: C9H17NO Molecular Weight (g/mol): 155.24 MDL Number: MFCD00209615 InChI Key: XOHBENIMDRFUIH-UHFFFAOYSA-N PubChem CID: 407498 IUPAC Name: 2-isocyanato-2,4,4-trimethylpentane SMILES: CC(C)(C)CC(C)(C)N=C=O

PubChem CID 407498
CAS 1611-57-0
Molecular Weight (g/mol) 155.24
MDL Number MFCD00209615
SMILES CC(C)(C)CC(C)(C)N=C=O
IUPAC Name 2-isocyanato-2,4,4-trimethylpentane
InChI Key XOHBENIMDRFUIH-UHFFFAOYSA-N
Molecular Formula C9H17NO
9
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trans-1,4-Cyclohexane diisocyanate, 97%

CAS: 7517-76-2 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00074787 InChI Key: CDMDQYCEEKCBGR-UHFFFAOYSA-N Synonym: trans-1,4-diisocyanatocyclohexane,trans-1,4-cyclohexane diisocyanate,trans-1,4-cyclohexanediisocyanate,1,4-cyclohexane diisocyanate,cyclohexane, 1,4-diisocyanato,cyclohexane, 1,4-diisocyanato-, trans,cyclohexane-1,4-diisocyanate,trans-1,4-cyclohexyleneisocyanate,1,4-cyclohexyl di-isocyanate,cis-1,4-cyclohexylenediisocyanate PubChem CID: 17367 IUPAC Name: 1,4-diisocyanatocyclohexane SMILES: C1CC(CCC1N=C=O)N=C=O

PubChem CID 17367
CAS 7517-76-2
Molecular Weight (g/mol) 166.18
MDL Number MFCD00074787
SMILES C1CC(CCC1N=C=O)N=C=O
Synonym trans-1,4-diisocyanatocyclohexane,trans-1,4-cyclohexane diisocyanate,trans-1,4-cyclohexanediisocyanate,1,4-cyclohexane diisocyanate,cyclohexane, 1,4-diisocyanato,cyclohexane, 1,4-diisocyanato-, trans,cyclohexane-1,4-diisocyanate,trans-1,4-cyclohexyleneisocyanate,1,4-cyclohexyl di-isocyanate,cis-1,4-cyclohexylenediisocyanate
IUPAC Name 1,4-diisocyanatocyclohexane
InChI Key CDMDQYCEEKCBGR-UHFFFAOYSA-N
Molecular Formula C8H10N2O2
10
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4-n-Butoxyphenyl isocyanate, 98%

CAS: 28439-86-3 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00037042 InChI Key: ASFIDVOMDQBCNP-UHFFFAOYSA-N Synonym: 4-n-butoxyphenyl isocyanate,4-butoxyphenyl isocyanate,benzene, 1-butoxy-4-isocyanato,1-butoxy-4-isocyanato-benzene,pubchem16232,4-butoxybenzenisocyanate PubChem CID: 2769629 IUPAC Name: 1-butoxy-4-isocyanatobenzene SMILES: CCCCOC1=CC=C(C=C1)N=C=O

PubChem CID 2769629
CAS 28439-86-3
Molecular Weight (g/mol) 191.23
MDL Number MFCD00037042
SMILES CCCCOC1=CC=C(C=C1)N=C=O
Synonym 4-n-butoxyphenyl isocyanate,4-butoxyphenyl isocyanate,benzene, 1-butoxy-4-isocyanato,1-butoxy-4-isocyanato-benzene,pubchem16232,4-butoxybenzenisocyanate
IUPAC Name 1-butoxy-4-isocyanatobenzene
InChI Key ASFIDVOMDQBCNP-UHFFFAOYSA-N
Molecular Formula C11H13NO2
11
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1-Dodecyl isocyanate, 98%

CAS: 4202-38-4 Molecular Formula: C13H25NO Molecular Weight (g/mol): 211.349 MDL Number: MFCD00041744 InChI Key: YIDSTEJLDQMWBR-UHFFFAOYSA-N Synonym: dodecyl isocyanate,dodecane, 1-isocyanato,dodecylisocyanate,1-dodecyl isocyanate,n-dodecyl isocyanate,acmc-209jmx,isocyanic acid dodecyl ester PubChem CID: 77873 IUPAC Name: 1-isocyanatododecane SMILES: CCCCCCCCCCCCN=C=O

PubChem CID 77873
CAS 4202-38-4
Molecular Weight (g/mol) 211.349
MDL Number MFCD00041744
SMILES CCCCCCCCCCCCN=C=O
Synonym dodecyl isocyanate,dodecane, 1-isocyanato,dodecylisocyanate,1-dodecyl isocyanate,n-dodecyl isocyanate,acmc-209jmx,isocyanic acid dodecyl ester
IUPAC Name 1-isocyanatododecane
InChI Key YIDSTEJLDQMWBR-UHFFFAOYSA-N
Molecular Formula C13H25NO
12
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3-(Methoxycarbonyl)phenyl isocyanate, 97%

CAS: 41221-47-0 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00037077 InChI Key: WBGWGERFPSYHDT-UHFFFAOYSA-N Synonym: 3-carbomethoxyphenyl isocyanate,3-isocyanatobenzoic acid methyl ester,benzoic acid, 3-isocyanato-, methyl ester,3-methoxycarbonyl phenyl isocyanate,acmc-20akh8,methyl-3-isocyanatobenzoate,3-carbomethoxyphenylisocyanate,methyl 3-isocyanatobenzoate,3-isocyanato-benzoic acid methyl ester,m-methoxycarbonylphenyl isocyanate PubChem CID: 2733366 IUPAC Name: methyl 3-isocyanatobenzoate SMILES: COC(=O)C1=CC=CC(=C1)N=C=O

PubChem CID 2733366
CAS 41221-47-0
Molecular Weight (g/mol) 177.16
MDL Number MFCD00037077
SMILES COC(=O)C1=CC=CC(=C1)N=C=O
Synonym 3-carbomethoxyphenyl isocyanate,3-isocyanatobenzoic acid methyl ester,benzoic acid, 3-isocyanato-, methyl ester,3-methoxycarbonyl phenyl isocyanate,acmc-20akh8,methyl-3-isocyanatobenzoate,3-carbomethoxyphenylisocyanate,methyl 3-isocyanatobenzoate,3-isocyanato-benzoic acid methyl ester,m-methoxycarbonylphenyl isocyanate
IUPAC Name methyl 3-isocyanatobenzoate
InChI Key WBGWGERFPSYHDT-UHFFFAOYSA-N
Molecular Formula C9H7NO3
13

1,6-Diisocyanatohexane, 98+%

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
14
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3-Nitrophenyl isocyanate, 97%

CAS: 3320-87-4 Molecular Formula: C7H4N2O3 Molecular Weight (g/mol): 164.12 MDL Number: MFCD00007220 InChI Key: GFFGYTMCNVMFAJ-UHFFFAOYSA-N Synonym: 3-nitrophenyl isocyanate,m-nitrophenyl isocyanate,benzene, 1-isocyanato-3-nitro,3-nitrophenylisocyanate,isocyanic acid, m-nitrophenyl ester,3-nitrobenzenisocyanate,m-nitrophenylisocyanate,3-nitropheny isocyanate,pubchem15729,acmc-1ckin PubChem CID: 76835 IUPAC Name: 1-isocyanato-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(=C1)N=C=O

PubChem CID 76835
CAS 3320-87-4
Molecular Weight (g/mol) 164.12
MDL Number MFCD00007220
SMILES [O-][N+](=O)C1=CC=CC(=C1)N=C=O
Synonym 3-nitrophenyl isocyanate,m-nitrophenyl isocyanate,benzene, 1-isocyanato-3-nitro,3-nitrophenylisocyanate,isocyanic acid, m-nitrophenyl ester,3-nitrobenzenisocyanate,m-nitrophenylisocyanate,3-nitropheny isocyanate,pubchem15729,acmc-1ckin
IUPAC Name 1-isocyanato-3-nitrobenzene
InChI Key GFFGYTMCNVMFAJ-UHFFFAOYSA-N
Molecular Formula C7H4N2O3
15
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Ethyl 3-isocyanatopropionate, 98%

CAS: 5100-34-5 Molecular Formula: C6H9NO3 Molecular Weight (g/mol): 143.14 MDL Number: MFCD00078461 InChI Key: XBSGYVHOINMTIM-UHFFFAOYSA-N Synonym: ethyl 3-isocyanatopropionate,propanoic acid, 3-isocyanato-, ethyl ester,3-isocyanatopropionic acid ethyl ester,ethyl n-oxomethylidene-beta-alaninate,ethyl n-oxomethylene-beta-alaninate,acmc-20akzk,ethyl-3-isocyanatopropionate,ethyl 3-isocyanato-propionate,ethyl 3-isocyanatopropion-ate,ethyl-3-isocyanato-propionate PubChem CID: 2733373 IUPAC Name: ethyl 3-isocyanatopropanoate SMILES: CCOC(=O)CCN=C=O

PubChem CID 2733373
CAS 5100-34-5
Molecular Weight (g/mol) 143.14
MDL Number MFCD00078461
SMILES CCOC(=O)CCN=C=O
Synonym ethyl 3-isocyanatopropionate,propanoic acid, 3-isocyanato-, ethyl ester,3-isocyanatopropionic acid ethyl ester,ethyl n-oxomethylidene-beta-alaninate,ethyl n-oxomethylene-beta-alaninate,acmc-20akzk,ethyl-3-isocyanatopropionate,ethyl 3-isocyanato-propionate,ethyl 3-isocyanatopropion-ate,ethyl-3-isocyanato-propionate
IUPAC Name ethyl 3-isocyanatopropanoate
InChI Key XBSGYVHOINMTIM-UHFFFAOYSA-N
Molecular Formula C6H9NO3