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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 43 results
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
4

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

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
5

(R)-(-)-1-(1-Naphthyl)ethyl Isocyanate 90.0+%, TCI America™

CAS: 42340-98-7 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.24 MDL Number: MFCD00004015 InChI Key: GONOHGQPZFXJOJ-SNVBAGLBSA-N Synonym: r---1-1-naphthyl ethyl isocyanate,isocyanic acid r---1-1-naphthyl ethyl ester,1-1r-1-isocyanatoethyl naphthalene,naphthalene,1-1r-1-isocyanatoethyl,1r-1-naphthylethanisocyanate,1-1-isocyanatoethyl naphthalene #,pubchem8100,r-nei,r-1-1-naphthyl ethyl isocyanate PubChem CID: 170633 IUPAC Name: 1-[(1R)-1-isocyanatoethyl]naphthalene SMILES: C[C@@H](N=C=O)C1=C2C=CC=CC2=CC=C1

PubChem CID 170633
CAS 42340-98-7
Molecular Weight (g/mol) 197.24
MDL Number MFCD00004015
SMILES C[C@@H](N=C=O)C1=C2C=CC=CC2=CC=C1
Synonym r---1-1-naphthyl ethyl isocyanate,isocyanic acid r---1-1-naphthyl ethyl ester,1-1r-1-isocyanatoethyl naphthalene,naphthalene,1-1r-1-isocyanatoethyl,1r-1-naphthylethanisocyanate,1-1-isocyanatoethyl naphthalene #,pubchem8100,r-nei,r-1-1-naphthyl ethyl isocyanate
IUPAC Name 1-[(1R)-1-isocyanatoethyl]naphthalene
InChI Key GONOHGQPZFXJOJ-SNVBAGLBSA-N
Molecular Formula C13H11NO
6

1,3-Bis(isocyanatomethyl)cyclohexane (cis- and trans- mixture) 99.0+%, TCI America™

CAS: 38661-72-2 Molecular Formula: C10H14N2O2 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00129947 InChI Key: XSCLFFBWRKTMTE-UHFFFAOYNA-N PubChem CID: 53172 IUPAC Name: 1,3-bis(isocyanatomethyl)cyclohexane SMILES: O=C=NCC1CCCC(CN=C=O)C1

PubChem CID 53172
CAS 38661-72-2
Molecular Weight (g/mol) 194.23
MDL Number MFCD00129947
SMILES O=C=NCC1CCCC(CN=C=O)C1
IUPAC Name 1,3-bis(isocyanatomethyl)cyclohexane
InChI Key XSCLFFBWRKTMTE-UHFFFAOYNA-N
Molecular Formula C10H14N2O2
7

(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
8

(S)-(+)-1-(1-Naphthyl)ethyl Isocyanate 95.0+%, TCI America™

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-(1-isocyanatoethyl)naphthalene SMILES: CC(N=C=O)C1=C2C=CC=CC2=CC=C1

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-(1-isocyanatoethyl)naphthalene
InChI Key GONOHGQPZFXJOJ-UHFFFAOYNA-N
Molecular Formula C13H11NO
9

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

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
10

2,4-Dichlorophenyl Isocyanate 98.0+%, TCI America™

CAS: 2612-57-9 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.007 MDL Number: MFCD00002001 InChI Key: OLBJNSPBWLCTOT-UHFFFAOYSA-N Synonym: 2,4-dichlorophenyl isocyanate,2,4-dichlorophenylisocyanate,benzene, 2,4-dichloro-1-isocyanato,2,4-dichlorophenyl isocyantae,2,4-dichlorobenzenisocyanate,acmc-1cg9n,2,4-dichlorphenyl isocyanate,2,4-dichloro phenyl isocyanate,# PubChem CID: 75789 IUPAC Name: 2,4-dichloro-1-isocyanatobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)N=C=O

PubChem CID 75789
CAS 2612-57-9
Molecular Weight (g/mol) 188.007
MDL Number MFCD00002001
SMILES C1=CC(=C(C=C1Cl)Cl)N=C=O
Synonym 2,4-dichlorophenyl isocyanate,2,4-dichlorophenylisocyanate,benzene, 2,4-dichloro-1-isocyanato,2,4-dichlorophenyl isocyantae,2,4-dichlorobenzenisocyanate,acmc-1cg9n,2,4-dichlorphenyl isocyanate,2,4-dichloro phenyl isocyanate,#
IUPAC Name 2,4-dichloro-1-isocyanatobenzene
InChI Key OLBJNSPBWLCTOT-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NO
11

2-Chloroethyl Isocyanate 98.0+%, TCI America™

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

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
12

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
13

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
14

4-Butylphenyl Isocyanate 98.0+%, TCI America™

CAS: 69342-47-8 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00013882 InChI Key: LJJRXPXDTAUVQU-UHFFFAOYSA-N PubChem CID: 2796313 IUPAC Name: 1-butyl-4-isocyanatobenzene SMILES: CCCCC1=CC=C(C=C1)N=C=O

PubChem CID 2796313
CAS 69342-47-8
Molecular Weight (g/mol) 175.231
MDL Number MFCD00013882
SMILES CCCCC1=CC=C(C=C1)N=C=O
IUPAC Name 1-butyl-4-isocyanatobenzene
InChI Key LJJRXPXDTAUVQU-UHFFFAOYSA-N
Molecular Formula C11H13NO
15

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