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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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Keyword Search:
1 – 15 of 113 results
1

2-Isocyanatobenzonitrile, 97%, Thermo Scientific™

CAS: 42066-86-4 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.133 InChI Key: FQLNVWAFXQUXGW-UHFFFAOYSA-N PubChem CID: 2735873 IUPAC Name: 2-isocyanatobenzonitrile SMILES: C1=CC=C(C(=C1)C#N)N=C=O

PubChem CID 2735873
CAS 42066-86-4
Molecular Weight (g/mol) 144.133
SMILES C1=CC=C(C(=C1)C#N)N=C=O
IUPAC Name 2-isocyanatobenzonitrile
InChI Key FQLNVWAFXQUXGW-UHFFFAOYSA-N
Molecular Formula C8H4N2O
2

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

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
3

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

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

MDL Number MFCD00063015
Synonym (R)-(+)-1-Phenylethyl isocyanate
4

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

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

MDL Number MFCD00002036
Synonym (S)-(-)-1-Phenylethyl isocyanate
6

(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

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
7

Benzyl isocyanate, 99+%

CAS: 3173-56-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00009701 InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N Synonym: benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate PubChem CID: 76639 IUPAC Name: isocyanatomethylbenzene SMILES: O=C=NCC1=CC=CC=C1

PubChem CID 76639
CAS 3173-56-6
Molecular Weight (g/mol) 133.15
MDL Number MFCD00009701
SMILES O=C=NCC1=CC=CC=C1
Synonym benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate
IUPAC Name isocyanatomethylbenzene
InChI Key YDNLNVZZTACNJX-UHFFFAOYSA-N
Molecular Formula C8H7NO
8

Trichloroacetyl isocyanate, NMR grade

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: 2,2,2-trichloroacetyl isocyanate SMILES: ClC(Cl)(Cl)C(=O)N=C=O

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 2,2,2-trichloroacetyl isocyanate
InChI Key GRNOZCCBOFGDCL-UHFFFAOYSA-N
Molecular Formula C3Cl3NO2
9

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

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
10

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

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
11

1,4-Diisocyanatobutane, 97%

CAS: 4538-37-8 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00075559 InChI Key: OVBFMUAFNIIQAL-UHFFFAOYSA-N PubChem CID: 350453 IUPAC Name: 1,4-diisocyanatobutane SMILES: C(CCN=C=O)CN=C=O

PubChem CID 350453
CAS 4538-37-8
Molecular Weight (g/mol) 140.14
MDL Number MFCD00075559
SMILES C(CCN=C=O)CN=C=O
IUPAC Name 1,4-diisocyanatobutane
InChI Key OVBFMUAFNIIQAL-UHFFFAOYSA-N
Molecular Formula C6H8N2O2
12

3-(Ethoxycarbonyl)phenyl isocyanate, 97%

CAS: 67531-68-4 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD00013865 InChI Key: UPXGGIRFDZENRD-UHFFFAOYSA-N Synonym: 3-ethoxycarbonyl phenyl isocyanate,3-carbethoxyphenyl isocyanate,3-ethoxycarbonylphenyl isocyanate,3-ethoxycarbonyl phenylisocyanate,3-isocyanatobenzoic acid ethyl ester,3-carboethoxyphenyl isocyanate,#,ethyl 3-isocyanatobenzoate,3-ethoxycarbonyl phenylisothiocyanate,3-isocyanato-benzoic acid ethyl ester PubChem CID: 589806 IUPAC Name: ethyl 3-isocyanatobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)N=C=O

PubChem CID 589806
CAS 67531-68-4
Molecular Weight (g/mol) 191.19
MDL Number MFCD00013865
SMILES CCOC(=O)C1=CC(=CC=C1)N=C=O
Synonym 3-ethoxycarbonyl phenyl isocyanate,3-carbethoxyphenyl isocyanate,3-ethoxycarbonylphenyl isocyanate,3-ethoxycarbonyl phenylisocyanate,3-isocyanatobenzoic acid ethyl ester,3-carboethoxyphenyl isocyanate,#,ethyl 3-isocyanatobenzoate,3-ethoxycarbonyl phenylisothiocyanate,3-isocyanato-benzoic acid ethyl ester
IUPAC Name ethyl 3-isocyanatobenzoate
InChI Key UPXGGIRFDZENRD-UHFFFAOYSA-N
Molecular Formula C10H9NO3
13

Benzyl isocyanate, 98%

CAS: 3173-56-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00009701 InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N Synonym: benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate PubChem CID: 76639 IUPAC Name: isocyanatomethylbenzene SMILES: O=C=NCC1=CC=CC=C1

PubChem CID 76639
CAS 3173-56-6
Molecular Weight (g/mol) 133.15
MDL Number MFCD00009701
SMILES O=C=NCC1=CC=CC=C1
Synonym benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate
IUPAC Name isocyanatomethylbenzene
InChI Key YDNLNVZZTACNJX-UHFFFAOYSA-N
Molecular Formula C8H7NO
14

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

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
15

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

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