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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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2

p-Tolyl isocyanate, 99%

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

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
3

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

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
4

Phenyl isocyanate, 98+%, Thermo Scientific™

CAS: 103-71-9 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00001994 InChI Key: DGTNSSLYPYDJGL-UHFFFAOYSA-N Synonym: phenyl isocyanate,phenylcarbimide,carbanil,phenyl carbonimide,benzene, isocyanato,phenylisocyanate,isocyanic acid, phenyl ester,mondur p,phnco,fenylisokyanat PubChem CID: 7672 ChEBI: CHEBI:53806 IUPAC Name: isocyanatobenzene SMILES: C1=CC=C(C=C1)N=C=O

PubChem CID 7672
CAS 103-71-9
Molecular Weight (g/mol) 119.123
ChEBI CHEBI:53806
MDL Number MFCD00001994
SMILES C1=CC=C(C=C1)N=C=O
Synonym phenyl isocyanate,phenylcarbimide,carbanil,phenyl carbonimide,benzene, isocyanato,phenylisocyanate,isocyanic acid, phenyl ester,mondur p,phnco,fenylisokyanat
IUPAC Name isocyanatobenzene
InChI Key DGTNSSLYPYDJGL-UHFFFAOYSA-N
Molecular Formula C7H5NO
6

n-Propyl isocyanate, 99%

CAS: 110-78-1 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.11 MDL Number: MFCD00002045 InChI Key: OQURWGJAWSLGQG-UHFFFAOYSA-N Synonym: propyl isocyanate,propane, 1-isocyanato,n-propyl isocyanate,1-propyl isocyanate,propylisocyanate,isocyanic acid, propyl ester,m-propyl isocyanate,isocyanic acid propyl ester,1-propylisocyanate,1-isocyanato-propane PubChem CID: 61033 IUPAC Name: 1-isocyanatopropane SMILES: CCCN=C=O

PubChem CID 61033
CAS 110-78-1
Molecular Weight (g/mol) 85.11
MDL Number MFCD00002045
SMILES CCCN=C=O
Synonym propyl isocyanate,propane, 1-isocyanato,n-propyl isocyanate,1-propyl isocyanate,propylisocyanate,isocyanic acid, propyl ester,m-propyl isocyanate,isocyanic acid propyl ester,1-propylisocyanate,1-isocyanato-propane
IUPAC Name 1-isocyanatopropane
InChI Key OQURWGJAWSLGQG-UHFFFAOYSA-N
Molecular Formula C4H7NO