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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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1 – 15 of 78 results
1

4-Isocyanatobenzeneboronic acid pinacol ester, 95%

CAS: 380430-64-8 Molecular Formula: C13H16BNO3 Molecular Weight (g/mol): 245.085 MDL Number: MFCD03411942 InChI Key: RHKRIDVZGAXYQE-UHFFFAOYSA-N Synonym: 2-4-isocyanatophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-isocyanatophenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-isocyanatophenyl-4,4,5,5-tetramethyl,4-isocyanatophenylboronic acid, pinacol ester,4-isocyanatophenyl boronic acid pinacol ester,4-isocyanatobenzeneboronic acid pinacol ester,4-isocyanatophenyl boronic acid, pinacol ester,4-isocyanatophenyl boronic acid,pinacol ester,2-4-isocyanato-phenyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane PubChem CID: 2773474 IUPAC Name: 2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N=C=O

PubChem CID 2773474
CAS 380430-64-8
Molecular Weight (g/mol) 245.085
MDL Number MFCD03411942
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N=C=O
Synonym 2-4-isocyanatophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-isocyanatophenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-isocyanatophenyl-4,4,5,5-tetramethyl,4-isocyanatophenylboronic acid, pinacol ester,4-isocyanatophenyl boronic acid pinacol ester,4-isocyanatobenzeneboronic acid pinacol ester,4-isocyanatophenyl boronic acid, pinacol ester,4-isocyanatophenyl boronic acid,pinacol ester,2-4-isocyanato-phenyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane
IUPAC Name 2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key RHKRIDVZGAXYQE-UHFFFAOYSA-N
Molecular Formula C13H16BNO3
2

(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
3

(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
5

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

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
6

(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

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
7

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

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
8

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

CAS: 33375-06-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 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) 147.177
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
9

Cyclopentyl Isocyanate 98.0+%, TCI America™

CAS: 4747-71-1 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.144 MDL Number: MFCD02093695 InChI Key: CZALJDQHONFVFU-UHFFFAOYSA-N Synonym: cyclopentyl isocyanate,cyclopentylisocyanate,cyclopentane, isocyanato,isocyanic acid cyclopentyl ester,isocyanato cyclopentane,isocyanato-cyclopentane,acmc-1aspa,ksc497s6f PubChem CID: 643500 IUPAC Name: isocyanatocyclopentane SMILES: C1CCC(C1)N=C=O

PubChem CID 643500
CAS 4747-71-1
Molecular Weight (g/mol) 111.144
MDL Number MFCD02093695
SMILES C1CCC(C1)N=C=O
Synonym cyclopentyl isocyanate,cyclopentylisocyanate,cyclopentane, isocyanato,isocyanic acid cyclopentyl ester,isocyanato cyclopentane,isocyanato-cyclopentane,acmc-1aspa,ksc497s6f
IUPAC Name isocyanatocyclopentane
InChI Key CZALJDQHONFVFU-UHFFFAOYSA-N
Molecular Formula C6H9NO
10

Dodecyl Isocyanate 97.0+%, TCI America™

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

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
11

Benzyl Isocyanate 99.0+%, TCI America™

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: (isocyanatomethyl)benzene 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 (isocyanatomethyl)benzene
InChI Key YDNLNVZZTACNJX-UHFFFAOYSA-N
Molecular Formula C8H7NO
12

Heptyl Isocyanate 97.0+%, TCI America™

CAS: 4747-81-3 Molecular Formula: C8H15NO Molecular Weight (g/mol): 141.21 MDL Number: MFCD00144892 InChI Key: RFXBSYPBSRSQDU-UHFFFAOYSA-N Synonym: heptyl isocyanate,n-heptyl isocyanate,1-heptyl isocyanate,heptane, 1-isocyanato,n-heptylisocyanate,heptylisocyanate,acmc-209k9f,isocyanic acid heptyl ester,1-isocyanatoheptan-2-yl PubChem CID: 138341 IUPAC Name: 1-isocyanatoheptane SMILES: CCCCCCCN=C=O

PubChem CID 138341
CAS 4747-81-3
Molecular Weight (g/mol) 141.21
MDL Number MFCD00144892
SMILES CCCCCCCN=C=O
Synonym heptyl isocyanate,n-heptyl isocyanate,1-heptyl isocyanate,heptane, 1-isocyanato,n-heptylisocyanate,heptylisocyanate,acmc-209k9f,isocyanic acid heptyl ester,1-isocyanatoheptan-2-yl
IUPAC Name 1-isocyanatoheptane
InChI Key RFXBSYPBSRSQDU-UHFFFAOYSA-N
Molecular Formula C8H15NO
13

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

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
14

2,5-Dichlorophenyl Isocyanate 97.0+%, TCI America™

CAS: 5392-82-5 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.01 MDL Number: MFCD00002002 InChI Key: PEQMJVGRHNZPAM-UHFFFAOYSA-N Synonym: 2,5-dichlorophenyl isocyanate,benzene, 1,4-dichloro-2-isocyanato,2,5-dichlorophenylisocyanate,isocyanic acid, 2,5-dichlorophenyl ester,isocyanic acid 2,5-dichlorophenyl ester,acmc-209laz,2,5-dichlorobenzenisocyanate,benzene,4-dichloro-2-isocyanato,#,isocyanic acid,5-dichlorophenyl ester PubChem CID: 79360 IUPAC Name: 1,4-dichloro-2-isocyanatobenzene SMILES: ClC1=CC=C(Cl)C(=C1)N=C=O

PubChem CID 79360
CAS 5392-82-5
Molecular Weight (g/mol) 188.01
MDL Number MFCD00002002
SMILES ClC1=CC=C(Cl)C(=C1)N=C=O
Synonym 2,5-dichlorophenyl isocyanate,benzene, 1,4-dichloro-2-isocyanato,2,5-dichlorophenylisocyanate,isocyanic acid, 2,5-dichlorophenyl ester,isocyanic acid 2,5-dichlorophenyl ester,acmc-209laz,2,5-dichlorobenzenisocyanate,benzene,4-dichloro-2-isocyanato,#,isocyanic acid,5-dichlorophenyl ester
IUPAC Name 1,4-dichloro-2-isocyanatobenzene
InChI Key PEQMJVGRHNZPAM-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NO
15

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

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