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 110 results

m-Tolyl isocyanate, 99%

CAS: 621-29-4 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002021 InChI Key: CPPGZWWUPFWALU-UHFFFAOYSA-N Synonym: m-tolyl isocyanate,benzene, 1-isocyanato-3-methyl,meta-tolyl isocyanate,m-tolylisocyanate,m-isocyanatotoluene,3-methylphenyl isocyanate,3-tolyl isocyanate,3-methylphenylisocyanate,1-isocyanato-3-methyl-benzene,m-methylphenyl isocyanate PubChem CID: 69303 IUPAC Name: 1-isocyanato-3-methylbenzene SMILES: CC1=CC=CC(=C1)N=C=O

Pricing and Availability
Specifications

PubChem CID	69303
CAS	621-29-4
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00002021
SMILES	CC1=CC=CC(=C1)N=C=O
Synonym	m-tolyl isocyanate,benzene, 1-isocyanato-3-methyl,meta-tolyl isocyanate,m-tolylisocyanate,m-isocyanatotoluene,3-methylphenyl isocyanate,3-tolyl isocyanate,3-methylphenylisocyanate,1-isocyanato-3-methyl-benzene,m-methylphenyl isocyanate
IUPAC Name	1-isocyanato-3-methylbenzene
InChI Key	CPPGZWWUPFWALU-UHFFFAOYSA-N
Molecular Formula	C8H7NO

Allyl isocyanate, 96%

CAS: 1476-23-9 Molecular Formula: C4H5NO Molecular Weight (g/mol): 83.09 MDL Number: MFCD00002044 InChI Key: HXBPYFMVGFDZFT-UHFFFAOYSA-N PubChem CID: 15123 IUPAC Name: 3-isocyanatoprop-1-ene SMILES: C=CCN=C=O

Pricing and Availability
Specifications

PubChem CID	15123
CAS	1476-23-9
Molecular Weight (g/mol)	83.09
MDL Number	MFCD00002044
SMILES	C=CCN=C=O
IUPAC Name	3-isocyanatoprop-1-ene
InChI Key	HXBPYFMVGFDZFT-UHFFFAOYSA-N
Molecular Formula	C4H5NO

1-Octyl isocyanate, 97%, Thermo Scientific Chemicals

CAS: 3158-26-7 Molecular Formula: C9H17NO Molecular Weight (g/mol): 155.241 MDL Number: MFCD00013887 InChI Key: DYQFCTCUULUMTQ-UHFFFAOYSA-N Synonym: octyl isocyanate,octylisocyanate,octane, 1-isocyanato,n-octylisocyanate,1-octyl isocyanate,n-octyl isocyanate,1-isocyanato-octane,isocyanic acid, octyl ester,octanisocyanate PubChem CID: 76616 IUPAC Name: 1-isocyanatooctane SMILES: CCCCCCCCN=C=O

Pricing and Availability
Specifications

PubChem CID	76616
CAS	3158-26-7
Molecular Weight (g/mol)	155.241
MDL Number	MFCD00013887
SMILES	CCCCCCCCN=C=O
Synonym	octyl isocyanate,octylisocyanate,octane, 1-isocyanato,n-octylisocyanate,1-octyl isocyanate,n-octyl isocyanate,1-isocyanato-octane,isocyanic acid, octyl ester,octanisocyanate
IUPAC Name	1-isocyanatooctane
InChI Key	DYQFCTCUULUMTQ-UHFFFAOYSA-N
Molecular Formula	C9H17NO

4-Methoxybenzyl isocyanate, 99%

CAS: 56651-60-6 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00673064 InChI Key: QRBHVARIMDDOOV-UHFFFAOYSA-N Synonym: 4-methoxybenzyl isocyanate,1-isocyanatomethyl-4-methoxybenzene,p-methoxybenzyl isocyanate,4-methoxybenzylisocyanate,isocyanic acid, p-methoxybenzyl,benzene, 1-isocyanatomethyl-4-methoxy,4-methoxyphenyl methanisocyanate,acmc-20amf5,p-methoxybenzylisocyanate,p-metoxybenzyl-isocyanate PubChem CID: 187910 IUPAC Name: 1-(isocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(CN=C=O)C=C1

Pricing and Availability
Specifications

PubChem CID	187910
CAS	56651-60-6
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00673064
SMILES	COC1=CC=C(CN=C=O)C=C1
Synonym	4-methoxybenzyl isocyanate,1-isocyanatomethyl-4-methoxybenzene,p-methoxybenzyl isocyanate,4-methoxybenzylisocyanate,isocyanic acid, p-methoxybenzyl,benzene, 1-isocyanatomethyl-4-methoxy,4-methoxyphenyl methanisocyanate,acmc-20amf5,p-methoxybenzylisocyanate,p-metoxybenzyl-isocyanate
IUPAC Name	1-(isocyanatomethyl)-4-methoxybenzene
InChI Key	QRBHVARIMDDOOV-UHFFFAOYSA-N
Molecular Formula	C9H9NO2

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

Pricing and Availability
Specifications

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

Phenyl isocyanate, ≥99.0% (GC), MilliporeSigma™ Supelco™

MDL Number: MFCD00001994

Pricing and Availability
Specifications

MDL Number	MFCD00001994

4-Nitrophenyl isocyanate, 97%

CAS: 100-28-7 Molecular Formula: C7H4N2O3 Molecular Weight (g/mol): 164.12 MDL Number: MFCD00007306 InChI Key: GFNKTLQTQSALEJ-UHFFFAOYSA-N Synonym: 4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate PubChem CID: 66012 IUPAC Name: 1-isocyanato-4-nitrobenzene SMILES: C1=CC(=CC=C1N=C=O)[N+](=O)[O-]

Pricing and Availability
Specifications

PubChem CID	66012
CAS	100-28-7
Molecular Weight (g/mol)	164.12
MDL Number	MFCD00007306
SMILES	C1=CC(=CC=C1N=C=O)[N+](=O)[O-]
Synonym	4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate
IUPAC Name	1-isocyanato-4-nitrobenzene
InChI Key	GFNKTLQTQSALEJ-UHFFFAOYSA-N
Molecular Formula	C7H4N2O3

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

Pricing and Availability
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

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

Pricing and Availability
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

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

Pricing and Availability
Specifications

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-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

Pricing and Availability
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

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

Pricing and Availability
Specifications

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

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

Pricing and Availability
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

Isophorone diisocyanate, mixture of isomers, 98%

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

Pricing and Availability
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

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

Pricing and Availability
Specifications

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

Isocyanates

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