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.

16 – 30 of 345 results

4-Isocyanato-5-methyl-1-phenyl-1H-pyrazole 97+%, Thermo Scientific™

CAS: 799283-97-9 Molecular Formula: C11H9N3O Molecular Weight (g/mol): 199.213 InChI Key: IIFVDOYRTLEGHQ-UHFFFAOYSA-N Synonym: 4-isocyanato-5-methyl-1-phenyl-1h-pyrazole,5-methyl-1-phenylpyrazol-4-isocyanate,1h-pyrazole,4-isocyanato-5-methyl-1-phenyl,5-methyl-1-phenyl-1h-pyrazol-4-yl isocyanate,4-isocyanato-5-methyl-1h-pyrazol-4-yl benzene PubChem CID: 7164551 IUPAC Name: 4-isocyanato-5-methyl-1-phenylpyrazole SMILES: CC1=C(C=NN1C2=CC=CC=C2)N=C=O

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Specifications

PubChem CID	7164551
CAS	799283-97-9
Molecular Weight (g/mol)	199.213
SMILES	CC1=C(C=NN1C2=CC=CC=C2)N=C=O
Synonym	4-isocyanato-5-methyl-1-phenyl-1h-pyrazole,5-methyl-1-phenylpyrazol-4-isocyanate,1h-pyrazole,4-isocyanato-5-methyl-1-phenyl,5-methyl-1-phenyl-1h-pyrazol-4-yl isocyanate,4-isocyanato-5-methyl-1h-pyrazol-4-yl benzene
IUPAC Name	4-isocyanato-5-methyl-1-phenylpyrazole
InChI Key	IIFVDOYRTLEGHQ-UHFFFAOYSA-N
Molecular Formula	C11H9N3O

4-(Trifluoromethoxy)phenyl isocyanate, 97%

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

(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

6-Isocyanatochroman, 97%, Thermo Scientific™

CAS: 1002727-87-8 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD12198109 InChI Key: YNAWMZLOWDUDQF-UHFFFAOYSA-N Synonym: 6-isocyanatochroman,6-isocyanato-3,4-dihydro-2h-1-benzopyran,chroman-6-isocyanate PubChem CID: 43811033 IUPAC Name: 6-isocyanato-3,4-dihydro-2H-chromene SMILES: C1CC2=C(C=CC(=C2)N=C=O)OC1

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Specifications

PubChem CID	43811033
CAS	1002727-87-8
Molecular Weight (g/mol)	175.187
MDL Number	MFCD12198109
SMILES	C1CC2=C(C=CC(=C2)N=C=O)OC1
Synonym	6-isocyanatochroman,6-isocyanato-3,4-dihydro-2h-1-benzopyran,chroman-6-isocyanate
IUPAC Name	6-isocyanato-3,4-dihydro-2H-chromene
InChI Key	YNAWMZLOWDUDQF-UHFFFAOYSA-N
Molecular Formula	C10H9NO2

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

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

p-Tolyl isocyanate, 99%

CAS: 622-58-2 Molecular Formula: C₈H₇NO Molecular Weight (g/mol): 133.15 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
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

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

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Specifications

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

2-Ethoxyphenyl isocyanate, 97%

CAS: 5395-71-1 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00002007 InChI Key: BUIQXUQLYZPMLS-UHFFFAOYSA-N Synonym: 2-ethoxyphenyl isocyanate,o-ethoxyphenyl isocyanate,benzene, 1-ethoxy-2-isocyanato,isocyanic acid, o-ethoxyphenyl ester,2-ethoxyphenylisocyanate,2-ethoxybenzenisocyanate,acmc-20anwp,ethoxyphenyl isocyanate,2-ethoxy phenyl isocyanate,# PubChem CID: 79374 IUPAC Name: 1-ethoxy-2-isocyanatobenzene SMILES: CCOC1=CC=CC=C1N=C=O

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Specifications

PubChem CID	79374
CAS	5395-71-1
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00002007
SMILES	CCOC1=CC=CC=C1N=C=O
Synonym	2-ethoxyphenyl isocyanate,o-ethoxyphenyl isocyanate,benzene, 1-ethoxy-2-isocyanato,isocyanic acid, o-ethoxyphenyl ester,2-ethoxyphenylisocyanate,2-ethoxybenzenisocyanate,acmc-20anwp,ethoxyphenyl isocyanate,2-ethoxy phenyl isocyanate,#
IUPAC Name	1-ethoxy-2-isocyanatobenzene
InChI Key	BUIQXUQLYZPMLS-UHFFFAOYSA-N
Molecular Formula	C9H9NO2

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

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Specifications

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

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

2-(4-Isocyanatophenyl)pyrimidine, 90%, Thermo Scientific™

CAS: 216059-84-6 Molecular Formula: C11H7N3O Molecular Weight (g/mol): 197.20 MDL Number: MFCD09702380 InChI Key: VGGNOZLRRMBBQL-UHFFFAOYSA-N Synonym: 2-4-isocyanatophenyl pyrimidine,4-pyrimidin-2-ylbenzenisocyanate,4-pyrimidin-2-yl phenylisocyanate,pyrimidine,2-4-isocyanatophenyl,4-pyrimidin-2-yl phenyl isocyanate PubChem CID: 24229558 IUPAC Name: 2-(4-isocyanatophenyl)pyrimidine SMILES: O=C=NC1=CC=C(C=C1)C1=NC=CC=N1

Pricing & Availability
Specifications

PubChem CID	24229558
CAS	216059-84-6
Molecular Weight (g/mol)	197.20
MDL Number	MFCD09702380
SMILES	O=C=NC1=CC=C(C=C1)C1=NC=CC=N1
Synonym	2-4-isocyanatophenyl pyrimidine,4-pyrimidin-2-ylbenzenisocyanate,4-pyrimidin-2-yl phenylisocyanate,pyrimidine,2-4-isocyanatophenyl,4-pyrimidin-2-yl phenyl isocyanate
IUPAC Name	2-(4-isocyanatophenyl)pyrimidine
InChI Key	VGGNOZLRRMBBQL-UHFFFAOYSA-N
Molecular Formula	C11H7N3O

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

(S)-(+)-1-(1-Naphthyl)ethyl isocyanate, 95%

CAS: 73671-79-1 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.24 MDL Number: MFCD00064181 InChI Key: GONOHGQPZFXJOJ-UHFFFAOYNA-N Synonym: s-+-1-1-naphthyl ethyl isocyanate,1-1s-1-isocyanatoethyl naphthalene,s-nei,s-1-1-naphthyl ethyl isocyanate,isocyanic acid s-+-1-1-naphthyl ethyl ester,1-1-isocyanatoethyl naphthalene #,pubchem8101,s-+-1-naphthyl ethyl isocyanate,s--1-1-naphthyl ethyl isocyanate,s-+-1-1-naphthyl ethylisocyanate PubChem CID: 7023510 IUPAC Name: 1-[(1S)-1-isocyanatoethyl]naphthalene SMILES: CC(N=C=O)C1=C2C=CC=CC2=CC=C1

Pricing & Availability
Specifications

PubChem CID	7023510
CAS	73671-79-1
Molecular Weight (g/mol)	197.24
MDL Number	MFCD00064181
SMILES	CC(N=C=O)C1=C2C=CC=CC2=CC=C1
Synonym	s-+-1-1-naphthyl ethyl isocyanate,1-1s-1-isocyanatoethyl naphthalene,s-nei,s-1-1-naphthyl ethyl isocyanate,isocyanic acid s-+-1-1-naphthyl ethyl ester,1-1-isocyanatoethyl naphthalene #,pubchem8101,s-+-1-naphthyl ethyl isocyanate,s--1-1-naphthyl ethyl isocyanate,s-+-1-1-naphthyl ethylisocyanate
IUPAC Name	1-[(1S)-1-isocyanatoethyl]naphthalene
InChI Key	GONOHGQPZFXJOJ-UHFFFAOYNA-N
Molecular Formula	C13H11NO

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