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.

1 – 15 of 329 results

(R)-(+)-alpha-Methylbenzyl isocyanate, 98%

CAS: 33375-06-3 Molecular Formula: C₉H₉NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00063015 InChI Key: JJSCUXAFAJEQGB-MRVPVSSYSA-N Synonym: r-+-1-phenylethyl isocyanate,1r-1-isocyanatoethyl benzene,r-+-alpha-methylbenzyl isocyanate,benzene, 1r-1-isocyanatoethyl,isocyanic acid r-+-1-phenylethyl ester,isocyanic acid r-+-alpha-methylbenzyl ester,isocyanic acid-r-+-methylbenzyl ester,1-isocyanatoethyl benzene #,+-alpha-methylbenzyl isocyanate,pubchem8096 PubChem CID: 7018262 IUPAC Name: [(1R)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=CC=C1)N=C=O

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Specifications

PubChem CID	7018262
CAS	33375-06-3
Molecular Weight (g/mol)	147.18
MDL Number	MFCD00063015
SMILES	CC(C1=CC=CC=C1)N=C=O
Synonym	r-+-1-phenylethyl isocyanate,1r-1-isocyanatoethyl benzene,r-+-alpha-methylbenzyl isocyanate,benzene, 1r-1-isocyanatoethyl,isocyanic acid r-+-1-phenylethyl ester,isocyanic acid r-+-alpha-methylbenzyl ester,isocyanic acid-r-+-methylbenzyl ester,1-isocyanatoethyl benzene #,+-alpha-methylbenzyl isocyanate,pubchem8096
IUPAC Name	[(1R)-1-isocyanatoethyl]benzene
InChI Key	JJSCUXAFAJEQGB-MRVPVSSYSA-N
Molecular Formula	C₉H₉NO

Phenyl Isocyanate, MP Biomedicals

CAS: 103-71-9 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 InChI Key: DGTNSSLYPYDJGL-UHFFFAOYSA-N Synonym: phenyl isocyanate,phenylcarbimide,carbanil,phenyl carbonimide,benzene, isocyanato,phenylisocyanate,isocyanic acid, phenyl ester,mondur p,phnco,fenylisokyanat PubChem CID: 7672 ChEBI: CHEBI:53806 IUPAC Name: isocyanatobenzene SMILES: C1=CC=C(C=C1)N=C=O

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Specifications

PubChem CID	7672
CAS	103-71-9
Molecular Weight (g/mol)	119.123
ChEBI	CHEBI:53806
SMILES	C1=CC=C(C=C1)N=C=O
Synonym	phenyl isocyanate,phenylcarbimide,carbanil,phenyl carbonimide,benzene, isocyanato,phenylisocyanate,isocyanic acid, phenyl ester,mondur p,phnco,fenylisokyanat
IUPAC Name	isocyanatobenzene
InChI Key	DGTNSSLYPYDJGL-UHFFFAOYSA-N
Molecular Formula	C7H5NO

Isophorone diisocyanate, 98+%, mixture of isomers

CAS: 4098-71-9 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.29 MDL Number: MFCD00064956 InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYNA-N Synonym: isophorone diisocyanate,ipdi,isophorone diamine diisocyanate,5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane,3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate,cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl,3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate,ccris 6252,isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester,isophorone diisocyanate diisocyanates PubChem CID: 169132 ChEBI: CHEBI:53214 IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane SMILES: CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O

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Specifications

PubChem CID	169132
CAS	4098-71-9
Molecular Weight (g/mol)	222.29
ChEBI	CHEBI:53214
MDL Number	MFCD00064956
SMILES	CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O
Synonym	isophorone diisocyanate,ipdi,isophorone diamine diisocyanate,5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane,3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate,cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl,3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate,ccris 6252,isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester,isophorone diisocyanate diisocyanates
IUPAC Name	5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
InChI Key	NIMLQBUJDJZYEJ-UHFFFAOYNA-N
Molecular Formula	C12H18N2O2

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

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Specifications

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

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

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Specifications

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

1-Isocyanato-2-(phenoxymethyl)benzene, 97%, Thermo Scientific™

CAS: 910037-00-2 Molecular Formula: C14H11NO2 Molecular Weight (g/mol): 225.25 MDL Number: MFCD09025892 InChI Key: FGEXXDXHIUWRRS-UHFFFAOYSA-N Synonym: 1-isocyanato-2-phenoxymethyl benzene,2-phenoxymethyl benzenisocyanate PubChem CID: 18525894 IUPAC Name: 1-isocyanato-2-(phenoxymethyl)benzene SMILES: O=C=NC1=CC=CC=C1COC1=CC=CC=C1

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Specifications

PubChem CID	18525894
CAS	910037-00-2
Molecular Weight (g/mol)	225.25
MDL Number	MFCD09025892
SMILES	O=C=NC1=CC=CC=C1COC1=CC=CC=C1
Synonym	1-isocyanato-2-phenoxymethyl benzene,2-phenoxymethyl benzenisocyanate
IUPAC Name	1-isocyanato-2-(phenoxymethyl)benzene
InChI Key	FGEXXDXHIUWRRS-UHFFFAOYSA-N
Molecular Formula	C14H11NO2

o-Tolyl isocyanate, 98%

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

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Specifications

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

4-Ethylphenyl isocyanate, 98%

CAS: 23138-50-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00013881 InChI Key: FWPYUSLQCQDLJR-UHFFFAOYSA-N PubChem CID: 90007 IUPAC Name: 1-ethyl-4-isocyanatobenzene SMILES: CCC1=CC=C(C=C1)N=C=O

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Specifications

PubChem CID	90007
CAS	23138-50-3
Molecular Weight (g/mol)	147.177
MDL Number	MFCD00013881
SMILES	CCC1=CC=C(C=C1)N=C=O
IUPAC Name	1-ethyl-4-isocyanatobenzene
InChI Key	FWPYUSLQCQDLJR-UHFFFAOYSA-N
Molecular Formula	C9H9NO

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

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Specifications

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

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

3-Isocyanato-5-methyl-2-phenylfuran, 97%, Thermo Scientific™

CAS: 898289-18-4 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.209 MDL Number: MFCD09025851 InChI Key: GDLFJANXKGIZKA-UHFFFAOYSA-N Synonym: 5-methyl-2-phenylfuran-3-isocyanate,furan,3-isocyanato-5-methyl-2-phenyl PubChem CID: 18525836 IUPAC Name: 3-isocyanato-5-methyl-2-phenylfuran SMILES: CC1=CC(=C(O1)C2=CC=CC=C2)N=C=O

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Specifications

PubChem CID	18525836
CAS	898289-18-4
Molecular Weight (g/mol)	199.209
MDL Number	MFCD09025851
SMILES	CC1=CC(=C(O1)C2=CC=CC=C2)N=C=O
Synonym	5-methyl-2-phenylfuran-3-isocyanate,furan,3-isocyanato-5-methyl-2-phenyl
IUPAC Name	3-isocyanato-5-methyl-2-phenylfuran
InChI Key	GDLFJANXKGIZKA-UHFFFAOYSA-N
Molecular Formula	C12H9NO2

Trichloroacetyl isocyanate, 97%

CAS: 3019-71-4 Molecular Formula: C3Cl3NO2 Molecular Weight (g/mol): 188.39 MDL Number: MFCD00002033 InChI Key: GRNOZCCBOFGDCL-UHFFFAOYSA-N Synonym: trichloroacetyl isocyanate,acetyl isocyanate, trichloro,trichloroacetylisocyanate,isocyanic acid trichloroacetyl ester,unii-qxv1p5j6jl,qxv1p5j6jl,acetyl isocyanate, 2,2,2-trichloro,2,2,2-trichloroethanecarbonyl isocyanate,trichloroethanecarbonyl isocyanate,trichloroacetyl isocyanate, nmr grade PubChem CID: 76400 SMILES: ClC(Cl)(Cl)C(=O)N=C=O

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Specifications

PubChem CID	76400
CAS	3019-71-4
Molecular Weight (g/mol)	188.39
MDL Number	MFCD00002033
SMILES	ClC(Cl)(Cl)C(=O)N=C=O
Synonym	trichloroacetyl isocyanate,acetyl isocyanate, trichloro,trichloroacetylisocyanate,isocyanic acid trichloroacetyl ester,unii-qxv1p5j6jl,qxv1p5j6jl,acetyl isocyanate, 2,2,2-trichloro,2,2,2-trichloroethanecarbonyl isocyanate,trichloroethanecarbonyl isocyanate,trichloroacetyl isocyanate, nmr grade
InChI Key	GRNOZCCBOFGDCL-UHFFFAOYSA-N
Molecular Formula	C3Cl3NO2

4-Chloro-3-nitrophenyl Isocyanate 95.0+%, TCI America™

CAS: 40397-96-4 Molecular Formula: C7H3ClN2O3 Molecular Weight (g/mol): 198.56 MDL Number: MFCD00037062 InChI Key: ZCPHLSPLEGBTCZ-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrophenyl isocyanate,4-chloro-3-nitrophenylisocyanate,3-nitro-4-chlorophenyl isocyanate,4-chloro-3-nitrobenzenisocyanate,acmc-209jdv,#,benzene,1-chloro-4-isocyanato-2-nitro,1-chloranyl-4-isocyanato-2-nitro-benzene,isocyanic acid 4-chloro-3-nitrophenyl ester PubChem CID: 142448 IUPAC Name: 1-chloro-4-isocyanato-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC(=CC=C1Cl)N=C=O

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Specifications

PubChem CID	142448
CAS	40397-96-4
Molecular Weight (g/mol)	198.56
MDL Number	MFCD00037062
SMILES	[O-][N+](=O)C1=CC(=CC=C1Cl)N=C=O
Synonym	4-chloro-3-nitrophenyl isocyanate,4-chloro-3-nitrophenylisocyanate,3-nitro-4-chlorophenyl isocyanate,4-chloro-3-nitrobenzenisocyanate,acmc-209jdv,#,benzene,1-chloro-4-isocyanato-2-nitro,1-chloranyl-4-isocyanato-2-nitro-benzene,isocyanic acid 4-chloro-3-nitrophenyl ester
IUPAC Name	1-chloro-4-isocyanato-2-nitrobenzene
InChI Key	ZCPHLSPLEGBTCZ-UHFFFAOYSA-N
Molecular Formula	C7H3ClN2O3

1-Adamantyl isocyanate, 98%

CAS: 4411-25-0 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.25 MDL Number: MFCD00134405 InChI Key: VBHCPGFCIQDXGZ-UHFFFAOYSA-N Synonym: 1-adamantyl isocyanate,1-isocyanato-adamantane,1-isocyantoadamantane,1-adamantylisocyanate,adamantanisocyanate,adamantyl isocyanate,pubchem8848,1-adamantyl-isocyanate,1-adamantanyl isocyanate,adamantane, 1-isocyanato PubChem CID: 2059995 IUPAC Name: 1-isocyanatoadamantane SMILES: O=C=NC12CC3CC(CC(C3)C1)C2

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Specifications

PubChem CID	2059995
CAS	4411-25-0
Molecular Weight (g/mol)	177.25
MDL Number	MFCD00134405
SMILES	O=C=NC12CC3CC(CC(C3)C1)C2
Synonym	1-adamantyl isocyanate,1-isocyanato-adamantane,1-isocyantoadamantane,1-adamantylisocyanate,adamantanisocyanate,adamantyl isocyanate,pubchem8848,1-adamantyl-isocyanate,1-adamantanyl isocyanate,adamantane, 1-isocyanato
IUPAC Name	1-isocyanatoadamantane
InChI Key	VBHCPGFCIQDXGZ-UHFFFAOYSA-N
Molecular Formula	C11H15NO

3,4-Dichlorobenzyl isocyanate, 98%

CAS: 19752-09-1 Molecular Formula: C₈H₅Cl₂NO Molecular Weight (g/mol): 202.04 MDL Number: MFCD00673063 InChI Key: WLNAHQZFPSSVTP-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl isocyanate,3,4-dichlorobenzylisocyanate,1,2-dichloro-4-isocyanatomethyl benzene,benzene, 1,2-dichloro-4-isocyanatomethyl,1,2-dichloro-4-isocyanatomethyl-benzene,3,4-dichlorophenyl methanisocyanate,zlchem 123,acmc-20anfi,pubchem2096,3,4-dichloro-benzyl isocyanate PubChem CID: 2733368 IUPAC Name: 1,2-dichloro-4-(isocyanatomethyl)benzene SMILES: C1=CC(=C(C=C1CN=C=O)Cl)Cl

Pricing & Availability
Specifications

PubChem CID	2733368
CAS	19752-09-1
Molecular Weight (g/mol)	202.04
MDL Number	MFCD00673063
SMILES	C1=CC(=C(C=C1CN=C=O)Cl)Cl
Synonym	3,4-dichlorobenzyl isocyanate,3,4-dichlorobenzylisocyanate,1,2-dichloro-4-isocyanatomethyl benzene,benzene, 1,2-dichloro-4-isocyanatomethyl,1,2-dichloro-4-isocyanatomethyl-benzene,3,4-dichlorophenyl methanisocyanate,zlchem 123,acmc-20anfi,pubchem2096,3,4-dichloro-benzyl isocyanate
IUPAC Name	1,2-dichloro-4-(isocyanatomethyl)benzene
InChI Key	WLNAHQZFPSSVTP-UHFFFAOYSA-N
Molecular Formula	C₈H₅Cl₂NO

Isocyanates

Isocyanates

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Hexamethylene Diisocyanate 98.0+%, TCI America™ Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

4-Chloro-3-nitrophenyl Isocyanate 95.0+%, TCI America™ Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Hexamethylene Diisocyanate 98.0+%, TCI America™

4-Chloro-3-nitrophenyl Isocyanate 95.0+%, TCI America™