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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91 – 105 of 355 results

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

m-Xylylene Diisocyanate 98.0+%, TCI America™

CAS: 3634-83-1 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD00019917 InChI Key: RTTZISZSHSCFRH-UHFFFAOYSA-N Synonym: 1,3-Bis(isocyanatomethyl)benzene, Isocyanic Acid 1,3-Phenylenedimethylene Ester, m-Xylene Diisocyanate PubChem CID: 19262 IUPAC Name: 1,3-bis(isocyanatomethyl)benzene SMILES: O=C=NCC1=CC(CN=C=O)=CC=C1

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Specifications

PubChem CID	19262
CAS	3634-83-1
Molecular Weight (g/mol)	188.19
MDL Number	MFCD00019917
SMILES	O=C=NCC1=CC(CN=C=O)=CC=C1
Synonym	1,3-Bis(isocyanatomethyl)benzene, Isocyanic Acid 1,3-Phenylenedimethylene Ester, m-Xylene Diisocyanate
IUPAC Name	1,3-bis(isocyanatomethyl)benzene
InChI Key	RTTZISZSHSCFRH-UHFFFAOYSA-N
Molecular Formula	C10H8N2O2

2-(Trifluoromethoxy)phenyl Isocyanate 98.0+%, TCI America™

CAS: 182500-26-1 Molecular Formula: C8H4F3NO2 Molecular Weight (g/mol): 203.12 MDL Number: MFCD00134160 InChI Key: CTMGYQHKKIEXKF-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy phenyl isocyanate,1-isocyanato-2-trifluoromethoxy benzene,1-isocyanato-2-trifluoromethoxy-benzene,benzene, 1-isocyanato-2-trifluoromethoxy,2-trifluoromethoxy benzenisocyanate,pubchem4460,ksc181o4h,acmc-1c053,trifluoromethoxyphenyl isocyanate,2-trifluoromethoxyphenylisocyanate PubChem CID: 608953 IUPAC Name: 1-isocyanato-2-(trifluoromethoxy)benzene SMILES: C1=CC=C(C(=C1)N=C=O)OC(F)(F)F

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Specifications

PubChem CID	608953
CAS	182500-26-1
Molecular Weight (g/mol)	203.12
MDL Number	MFCD00134160
SMILES	C1=CC=C(C(=C1)N=C=O)OC(F)(F)F
Synonym	2-trifluoromethoxy phenyl isocyanate,1-isocyanato-2-trifluoromethoxy benzene,1-isocyanato-2-trifluoromethoxy-benzene,benzene, 1-isocyanato-2-trifluoromethoxy,2-trifluoromethoxy benzenisocyanate,pubchem4460,ksc181o4h,acmc-1c053,trifluoromethoxyphenyl isocyanate,2-trifluoromethoxyphenylisocyanate
IUPAC Name	1-isocyanato-2-(trifluoromethoxy)benzene
InChI Key	CTMGYQHKKIEXKF-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO2

1,4-Phenylene Diisocyanate 98.0+%, TCI America™

CAS: 104-49-4 Molecular Formula: C8H4N2O2 Molecular Weight (g/mol): 160.132 InChI Key: ALQLPWJFHRMHIU-UHFFFAOYSA-N Synonym: Benzene 1,4-Diisocyanate PubChem CID: 61009 IUPAC Name: 1,4-diisocyanatobenzene SMILES: C1=CC(=CC=C1N=C=O)N=C=O

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Specifications

PubChem CID	61009
CAS	104-49-4
Molecular Weight (g/mol)	160.132
SMILES	C1=CC(=CC=C1N=C=O)N=C=O
Synonym	Benzene 1,4-Diisocyanate
IUPAC Name	1,4-diisocyanatobenzene
InChI Key	ALQLPWJFHRMHIU-UHFFFAOYSA-N
Molecular Formula	C8H4N2O2

4-Ethylphenyl Isocyanate 97.0+%, TCI America™

CAS: 23138-50-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00013881 InChI Key: FWPYUSLQCQDLJR-UHFFFAOYSA-N Synonym: 4-ethylphenyl isocyanate,p-ethylphenyl isocyanate,4-ethylphenylisocyanate,benzene, 1-ethyl-4-isocyanato,benzene,1-ethyl-4-isocyanato,4-ethylbenzenisocyanate,acmc-1cpzx,4-ethyl phenylisocyanate,4-ethyl-phenyl-isocyanate,1-ethyl-4-isocyanato-benzene 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
Synonym	4-ethylphenyl isocyanate,p-ethylphenyl isocyanate,4-ethylphenylisocyanate,benzene, 1-ethyl-4-isocyanato,benzene,1-ethyl-4-isocyanato,4-ethylbenzenisocyanate,acmc-1cpzx,4-ethyl phenylisocyanate,4-ethyl-phenyl-isocyanate,1-ethyl-4-isocyanato-benzene
IUPAC Name	1-ethyl-4-isocyanatobenzene
InChI Key	FWPYUSLQCQDLJR-UHFFFAOYSA-N
Molecular Formula	C9H9NO

Phenethyl Isocyanate 98.0+%, TCI America™

CAS: 1943-82-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 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)	147.177
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

(S)-(-)-alpha-Methylbenzyl Isocyanate 98.0+%, TCI America™

CAS: 14649-03-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 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

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Specifications

PubChem CID	2724173
CAS	14649-03-7
Molecular Weight (g/mol)	147.177
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

4-(Trifluoromethoxy)phenyl Isocyanate 98.0+%, TCI America™

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-Naphthyl Isocyanate 99.0+%, TCI America™

CAS: 86-84-0 Molecular Formula: C11H7NO Molecular Weight (g/mol): 169.183 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 SMILES: C1=CC=C2C(=C1)C=CC=C2N=C=O

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Specifications

PubChem CID	66589
CAS	86-84-0
Molecular Weight (g/mol)	169.183
MDL Number	MFCD00003881
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
Molecular Formula	C11H7NO

100

4-Nitrophenyl Isocyanate (contains varying amounts of polymers) 98.0+%, TCI America™

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-]

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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

101

p-Tolyl Isocyanate 98.0+%, TCI America™

CAS: 622-58-2 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002029 InChI Key: MGYGFNQQGAQEON-UHFFFAOYSA-N Synonym: p-tolyl isocyanate,4-tolyl isocyanate,4-methylphenyl isocyanate,p-isocyanatotoluene,4-isocyanatotoluene,p-toluene isocyanate,p-methylphenyl isocyanate,benzene, 1-isocyanato-4-methyl,p-tolylisocyanate,1-isocyanato-4-methyl-benzene PubChem CID: 69325 ChEBI: CHEBI:53732 IUPAC Name: 1-isocyanato-4-methylbenzene SMILES: CC1=CC=C(C=C1)N=C=O

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Specifications

PubChem CID	69325
CAS	622-58-2
Molecular Weight (g/mol)	133.15
ChEBI	CHEBI:53732
MDL Number	MFCD00002029
SMILES	CC1=CC=C(C=C1)N=C=O
Synonym	p-tolyl isocyanate,4-tolyl isocyanate,4-methylphenyl isocyanate,p-isocyanatotoluene,4-isocyanatotoluene,p-toluene isocyanate,p-methylphenyl isocyanate,benzene, 1-isocyanato-4-methyl,p-tolylisocyanate,1-isocyanato-4-methyl-benzene
IUPAC Name	1-isocyanato-4-methylbenzene
InChI Key	MGYGFNQQGAQEON-UHFFFAOYSA-N
Molecular Formula	C8H7NO

102

Trichloroacetyl Isocyanate 97.0+%, TCI America™

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 IUPAC Name: trichloroethanecarbonyl isocyanate 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
IUPAC Name	trichloroethanecarbonyl isocyanate
InChI Key	GRNOZCCBOFGDCL-UHFFFAOYSA-N
Molecular Formula	C3Cl3NO2

103

Octadecyl Isocyanate 80.0+%, TCI America™

CAS: 112-96-9 Molecular Formula: C19H37NO Molecular Weight (g/mol): 295.51 MDL Number: MFCD00002041 InChI Key: QWDQYHPOSSHSAW-UHFFFAOYSA-N Synonym: Isocyanic Acid Octadecyl Ester, Isocyanic Acid Stearyl Ester, Stearyl Isocyanate PubChem CID: 66988 IUPAC Name: 1-isocyanatooctadecane SMILES: CCCCCCCCCCCCCCCCCCN=C=O

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Specifications

PubChem CID	66988
CAS	112-96-9
Molecular Weight (g/mol)	295.51
MDL Number	MFCD00002041
SMILES	CCCCCCCCCCCCCCCCCCN=C=O
Synonym	Isocyanic Acid Octadecyl Ester, Isocyanic Acid Stearyl Ester, Stearyl Isocyanate
IUPAC Name	1-isocyanatooctadecane
InChI Key	QWDQYHPOSSHSAW-UHFFFAOYSA-N
Molecular Formula	C19H37NO

104

1-Adamantyl Isocyanate 98.0+%, TCI America™

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

105

4,4'-Diisocyanato-3,3'-dimethylbiphenyl 98.0+%, TCI America™

CAS: 91-97-4 Molecular Formula: C16H12N2O2 Molecular Weight (g/mol): 264.284 MDL Number: MFCD00019908 InChI Key: ICLCCFKUSALICQ-UHFFFAOYSA-N PubChem CID: 7072 IUPAC Name: 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O

Pricing & Availability
Specifications

PubChem CID	7072
CAS	91-97-4
Molecular Weight (g/mol)	264.284
MDL Number	MFCD00019908
SMILES	CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O
IUPAC Name	1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
InChI Key	ICLCCFKUSALICQ-UHFFFAOYSA-N
Molecular Formula	C16H12N2O2

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