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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46 – 60 of 1,110 results

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Phenethyl isocyanate, 99%

CAS: 1943-82-4 Molecular Formula: C₉H₉NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00037044 InChI Key: HACRKYQRZABURO-UHFFFAOYSA-N Synonym: phenethyl isocyanate,2-isocyanatoethyl benzene,phenylethyl isocyanate,2-phenylethyl isocyanate,2-phenylethylisocyanate,phenylethylisocyanate,phenethylisocyanate,benzene, 2-isocyanatoethyl,2-isocyanato-ethyl-benzene,2-phenethyl isocyanate PubChem CID: 160602 ChEBI: CHEBI:60067 IUPAC Name: 2-isocyanatoethylbenzene SMILES: C1=CC=C(C=C1)CCN=C=O

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Specifications

PubChem CID	160602
CAS	1943-82-4
Molecular Weight (g/mol)	147.18
ChEBI	CHEBI:60067
MDL Number	MFCD00037044
SMILES	C1=CC=C(C=C1)CCN=C=O
Synonym	phenethyl isocyanate,2-isocyanatoethyl benzene,phenylethyl isocyanate,2-phenylethyl isocyanate,2-phenylethylisocyanate,phenylethylisocyanate,phenethylisocyanate,benzene, 2-isocyanatoethyl,2-isocyanato-ethyl-benzene,2-phenethyl isocyanate
IUPAC Name	2-isocyanatoethylbenzene
InChI Key	HACRKYQRZABURO-UHFFFAOYSA-N
Molecular Formula	C₉H₉NO

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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

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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

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4-Cyanophenyl isocyanate, 95%, Thermo Scientific Chemicals

CAS: 40465-45-0 Molecular Formula: C₈H₄N₂O Molecular Weight (g/mol): 144.13 MDL Number: MFCD00037038 InChI Key: TVSXDZNUTPLDKY-UHFFFAOYSA-N PubChem CID: 170380 IUPAC Name: 4-isocyanatobenzonitrile SMILES: C1=CC(=CC=C1C#N)N=C=O

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Specifications

PubChem CID	170380
CAS	40465-45-0
Molecular Weight (g/mol)	144.13
MDL Number	MFCD00037038
SMILES	C1=CC(=CC=C1C#N)N=C=O
IUPAC Name	4-isocyanatobenzonitrile
InChI Key	TVSXDZNUTPLDKY-UHFFFAOYSA-N
Molecular Formula	C₈H₄N₂O

4-(Trifluoromethoxy)phenyl isocyanate, 97%, Thermo Scientific™

CAS: 35037-73-1 Molecular Formula: C8H4F3NO2 Molecular Weight (g/mol): 203.12 MDL Number: MFCD00035702 InChI Key: LGPKFIGMLPDYEA-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenyl isocyanate,1-isocyanato-4-trifluoromethoxy benzene,4-trifluoromethoxy phenylisocyanate,4-trifluoromethoxyphenylisocyanate,benzene, 1-isocyanato-4-trifluoromethoxy,1-isocyanato-4-trifluoromethoxy-benzene,p-trifluoromethoxy phenyl isocyanate,isocyanic acid 4-trifluoromethoxy phenyl ester,4-trifluoromethoxy benzenisocyanate PubChem CID: 92298 IUPAC Name: 1-isocyanato-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1N=C=O)OC(F)(F)F

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Specifications

PubChem CID	92298
CAS	35037-73-1
Molecular Weight (g/mol)	203.12
MDL Number	MFCD00035702
SMILES	C1=CC(=CC=C1N=C=O)OC(F)(F)F
Synonym	4-trifluoromethoxy phenyl isocyanate,1-isocyanato-4-trifluoromethoxy benzene,4-trifluoromethoxy phenylisocyanate,4-trifluoromethoxyphenylisocyanate,benzene, 1-isocyanato-4-trifluoromethoxy,1-isocyanato-4-trifluoromethoxy-benzene,p-trifluoromethoxy phenyl isocyanate,isocyanic acid 4-trifluoromethoxy phenyl ester,4-trifluoromethoxy benzenisocyanate
IUPAC Name	1-isocyanato-4-(trifluoromethoxy)benzene
InChI Key	LGPKFIGMLPDYEA-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO2

1-Benzothiophen-5-yl isocyanate, 97%, Thermo Scientific™

CAS: 239097-78-0 Molecular Formula: C9H5NOS Molecular Weight (g/mol): 175.205 InChI Key: GWLZJAWTWVSHCU-UHFFFAOYSA-N Synonym: 1-benzothiophen-5-yl isocyanate,1-benzothiophen-5-ylisocyanate,benzo b thiophen-5-isocyanate,5-isocyanato-benzo b thiophene,benzo b thiophene,5-isocyanato PubChem CID: 7060535 IUPAC Name: 5-isocyanato-1-benzothiophene SMILES: C1=CC2=C(C=CS2)C=C1N=C=O

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Specifications

PubChem CID	7060535
CAS	239097-78-0
Molecular Weight (g/mol)	175.205
SMILES	C1=CC2=C(C=CS2)C=C1N=C=O
Synonym	1-benzothiophen-5-yl isocyanate,1-benzothiophen-5-ylisocyanate,benzo b thiophen-5-isocyanate,5-isocyanato-benzo b thiophene,benzo b thiophene,5-isocyanato
IUPAC Name	5-isocyanato-1-benzothiophene
InChI Key	GWLZJAWTWVSHCU-UHFFFAOYSA-N
Molecular Formula	C9H5NOS

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Benzoyl isocyanate, 90%, Tech.

CAS: 4461-33-0 Molecular Formula: C₈H₅NO₂ Molecular Weight (g/mol): 147.13 MDL Number: MFCD00002032 InChI Key: LURYMYITPCOQAU-UHFFFAOYSA-N Synonym: benzoylisocyanate,methanone, 1-phenyl-1-isocyanato,oxophenylmethanisocyanate,benzoyl isocynate,phconco,acmc-20alpt,pubchem7575,isocyanato phenyl methanone,isocyanato-phenyl-methanone,9ci PubChem CID: 78210 IUPAC Name: benzoyl isocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=O

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Specifications

PubChem CID	78210
CAS	4461-33-0
Molecular Weight (g/mol)	147.13
MDL Number	MFCD00002032
SMILES	C1=CC=C(C=C1)C(=O)N=C=O
Synonym	benzoylisocyanate,methanone, 1-phenyl-1-isocyanato,oxophenylmethanisocyanate,benzoyl isocynate,phconco,acmc-20alpt,pubchem7575,isocyanato phenyl methanone,isocyanato-phenyl-methanone,9ci
IUPAC Name	benzoyl isocyanate
InChI Key	LURYMYITPCOQAU-UHFFFAOYSA-N
Molecular Formula	C₈H₅NO₂

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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

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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

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Octyl isocyanate, 99%

CAS: 3158-26-7 Molecular Formula: C₉H₁₇NO Molecular Weight (g/mol): 155.24 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

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Specifications

PubChem CID	76616
CAS	3158-26-7
Molecular Weight (g/mol)	155.24
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

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3-Cyanophenyl isocyanate, 97%

CAS: 16413-26-6 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.133 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

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Specifications

PubChem CID	2733315
CAS	16413-26-6
Molecular Weight (g/mol)	144.133
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

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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

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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

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

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

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

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

MDL Number: MFCD00063015 Synonym: (R)-(+)-1-Phenylethyl isocyanate

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Specifications

MDL Number	MFCD00063015
Synonym	(R)-(+)-1-Phenylethyl isocyanate

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

MDL Number: MFCD00001994

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Specifications

MDL Number	MFCD00001994

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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

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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

4-(4-Isocyanatophenoxy)tetrahydropyran, 97%, Thermo Scientific™

CAS: 892501-94-9 Molecular Formula: C12H13NO3 Molecular Weight (g/mol): 219.24 MDL Number: MFCD09702366 InChI Key: ZGNHUEWFJQLPDN-UHFFFAOYSA-N Synonym: 4-4-isocyanatophenoxy oxane,4-4-isocyanatophenoxy tetrahydropyran,4-4-isocyanatophenoxy tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-4-isocyanatophenoxy,4-tetrahydro-2h-pyran-4-yl oxy phenyl isocyanate,1-isocyanato-4-tetrahydro-2h-pyran-4-yl oxy benzene,4-2h-3,4,5,6-tetrahydropyran-4-yloxy benzenisocyanate PubChem CID: 24229521 IUPAC Name: 4-(4-isocyanatophenoxy)oxane SMILES: C1COCCC1OC2=CC=C(C=C2)N=C=O

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Specifications

PubChem CID	24229521
CAS	892501-94-9
Molecular Weight (g/mol)	219.24
MDL Number	MFCD09702366
SMILES	C1COCCC1OC2=CC=C(C=C2)N=C=O
Synonym	4-4-isocyanatophenoxy oxane,4-4-isocyanatophenoxy tetrahydropyran,4-4-isocyanatophenoxy tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-4-isocyanatophenoxy,4-tetrahydro-2h-pyran-4-yl oxy phenyl isocyanate,1-isocyanato-4-tetrahydro-2h-pyran-4-yl oxy benzene,4-2h-3,4,5,6-tetrahydropyran-4-yloxy benzenisocyanate
IUPAC Name	4-(4-isocyanatophenoxy)oxane
InChI Key	ZGNHUEWFJQLPDN-UHFFFAOYSA-N
Molecular Formula	C12H13NO3

Isocyanates

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