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Isocyanater

Organiske forbindelser, der indeholder et nitrogenatom bundet til et carbonatom, der er bundet til et oxygenatom, begge bindinger er dobbeltbindinger, i følgende struktur: RN=C=O, hvor R er en hvilken som helst carbonkæde eller gruppe.

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1

4-isocyanatobenzenboronsyre pinacol ester, 95%, Thermo Scientific Chemicals

CAS: 380430-64-8 Molekylær formel: C13H16BNO3 Molekylvægt (g/mol): 245.085 MDL nummer: MFCD03411942 InChI nøgle: 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 navn: 2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolan SMIL: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N=C=O

MDL nummer MFCD03411942
PubChem CID 2773474
Molekylvægt (g/mol) 245.085
CAS 380430-64-8
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
SMIL B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N=C=O
IUPAC navn 2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolan
InChI nøgle RHKRIDVZGAXYQE-UHFFFAOYSA-N
Molekylær formel C13H16BNO3
2

3-(Methoxycarbonyl)phenyl isocyanate, 97%

CAS: 41221-47-0 Molekylær formel: C9H7NO3 Molekylvægt (g/mol): 177.16 MDL nummer: MFCD00037077 InChI nøgle: WBGWGERFPSYHDT-UHFFFAOYSA-N Synonym: 3-carbomethoxyphenyl isocyanate,3-isocyanatobenzoic acid methyl ester,benzoic acid, 3-isocyanato-, methyl ester,3-methoxycarbonyl phenyl isocyanate,acmc-20akh8,methyl-3-isocyanatobenzoate,3-carbomethoxyphenylisocyanate,methyl 3-isocyanatobenzoate,3-isocyanato-benzoic acid methyl ester,m-methoxycarbonylphenyl isocyanate PubChem CID: 2733366 IUPAC navn: methyl-3-isocyanatobenzoat SMIL: COC(=O)C1=CC=CC(=C1)N=C=O

MDL nummer MFCD00037077
PubChem CID 2733366
Molekylvægt (g/mol) 177.16
CAS 41221-47-0
Synonym 3-carbomethoxyphenyl isocyanate,3-isocyanatobenzoic acid methyl ester,benzoic acid, 3-isocyanato-, methyl ester,3-methoxycarbonyl phenyl isocyanate,acmc-20akh8,methyl-3-isocyanatobenzoate,3-carbomethoxyphenylisocyanate,methyl 3-isocyanatobenzoate,3-isocyanato-benzoic acid methyl ester,m-methoxycarbonylphenyl isocyanate
SMIL COC(=O)C1=CC=CC(=C1)N=C=O
IUPAC navn methyl-3-isocyanatobenzoat
InChI nøgle WBGWGERFPSYHDT-UHFFFAOYSA-N
Molekylær formel C9H7NO3
3

(R)-(+)-1-Phenylethylisocyanat, 99 %, Thermo Scientific Chemicals

CAS: 33375-06-3 Molekylær formel: C9H9NO Molekylvægt (g/mol): 147.177 MDL nummer: MFCD00063015 InChI nøgle: 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 navn: [(1R)-1-isocyanatoethyl]benzen SMIL: CC(C1=CC=CC=C1)N=C=O

MDL nummer MFCD00063015
PubChem CID 7018262
Molekylvægt (g/mol) 147.177
CAS 33375-06-3
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
SMIL CC(C1=CC=CC=C1)N=C=O
IUPAC navn [(1R)-1-isocyanatoethyl]benzen
InChI nøgle JJSCUXAFAJEQGB-MRVPVSSYSA-N
Molekylær formel C9H9NO
4

(S)-(-)-1-Phenylethyl isocyanate, 98%

CAS: 14649-03-7 Molekylær formel: C9H9NO Molekylvægt (g/mol): 147.177 MDL nummer: MFCD00002036 InChI nøgle: 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 navn: [(1S)-1-isocyanatoethyl]benzen SMIL: CC(C1=CC=CC=C1)N=C=O

MDL nummer MFCD00002036
PubChem CID 2724173
Molekylvægt (g/mol) 147.177
CAS 14649-03-7
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 #
SMIL CC(C1=CC=CC=C1)N=C=O
IUPAC navn [(1S)-1-isocyanatoethyl]benzen
InChI nøgle JJSCUXAFAJEQGB-QMMMGPOBSA-N
Molekylær formel C9H9NO
6

(S)-(-)-α -Methylbenzylisocyanat, 98%, Thermo Scientific Chemicals

CAS: 14649-03-7 Molekylær formel: C9H9NO Molekylvægt (g/mol): 147.18 MDL nummer: MFCD00002036 InChI nøgle: 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 navn: [(1S)-1-isocyanatoethyl]benzen SMIL: CC(C1=CC=CC=C1)N=C=O

MDL nummer MFCD00002036
PubChem CID 2724173
Molekylvægt (g/mol) 147.18
CAS 14649-03-7
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 #
SMIL CC(C1=CC=CC=C1)N=C=O
IUPAC navn [(1S)-1-isocyanatoethyl]benzen
InChI nøgle JJSCUXAFAJEQGB-QMMMGPOBSA-N
Molekylær formel C9H9NO
7

1-Naphthyl isocyanate, 98%

CAS: 86-84-0 Molekylær formel: C11H7NO MDL nummer: MFCD00003881 InChI nøgle: 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 navn: 1-isocyanatonaphthalen

MDL nummer MFCD00003881
PubChem CID 66589
CAS 86-84-0
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 navn 1-isocyanatonaphthalen
InChI nøgle BDQNKCYCTYYMAA-UHFFFAOYSA-N
Molekylær formel C11H7NO
8

3-(Ethoxycarbonyl)phenyl isocyanate, 97%

CAS: 67531-68-4 Molekylær formel: C10H9NO3 Molekylvægt (g/mol): 191.19 MDL nummer: MFCD00013865 InChI nøgle: 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 navn: ethyl-3-isocyanatobenzoat SMIL: CCOC(=O)C1=CC(=CC=C1)N=C=O

MDL nummer MFCD00013865
PubChem CID 589806
Molekylvægt (g/mol) 191.19
CAS 67531-68-4
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
SMIL CCOC(=O)C1=CC(=CC=C1)N=C=O
IUPAC navn ethyl-3-isocyanatobenzoat
InChI nøgle UPXGGIRFDZENRD-UHFFFAOYSA-N
Molekylær formel C10H9NO3
9

Ethyl 3-isocyanatopropionate, 98%

CAS: 5100-34-5 Molekylær formel: C6H9NO3 Molekylvægt (g/mol): 143.14 MDL nummer: MFCD00078461 InChI nøgle: XBSGYVHOINMTIM-UHFFFAOYSA-N Synonym: ethyl 3-isocyanatopropionate,propanoic acid, 3-isocyanato-, ethyl ester,3-isocyanatopropionic acid ethyl ester,ethyl n-oxomethylidene-beta-alaninate,ethyl n-oxomethylene-beta-alaninate,acmc-20akzk,ethyl-3-isocyanatopropionate,ethyl 3-isocyanato-propionate,ethyl 3-isocyanatopropion-ate,ethyl-3-isocyanato-propionate PubChem CID: 2733373 IUPAC navn: ethyl-3-isocyanatopropanoat SMIL: CCOC(=O)CCN=C=O

MDL nummer MFCD00078461
PubChem CID 2733373
Molekylvægt (g/mol) 143.14
CAS 5100-34-5
Synonym ethyl 3-isocyanatopropionate,propanoic acid, 3-isocyanato-, ethyl ester,3-isocyanatopropionic acid ethyl ester,ethyl n-oxomethylidene-beta-alaninate,ethyl n-oxomethylene-beta-alaninate,acmc-20akzk,ethyl-3-isocyanatopropionate,ethyl 3-isocyanato-propionate,ethyl 3-isocyanatopropion-ate,ethyl-3-isocyanato-propionate
SMIL CCOC(=O)CCN=C=O
IUPAC navn ethyl-3-isocyanatopropanoat
InChI nøgle XBSGYVHOINMTIM-UHFFFAOYSA-N
Molekylær formel C6H9NO3
10

3,4-Dichlorophenyl isocyanate, 97%

CAS: 102-36-3 Molekylær formel: C7H3Cl2NO Molekylvægt (g/mol): 188.007 MDL nummer: MFCD00002017 InChI nøgle: MFUVCHZWGSJKEQ-UHFFFAOYSA-N Synonym: 3,4-dichlorophenyl isocyanate,benzene, 1,2-dichloro-4-isocyanato,3,4-dichlorfenylisokyanat,isocyanic acid 3,4-dichlorophenyl ester,3,4-dichlorophenylisocyanate,unii-ozw0b7f1du,3,4-dichlorphenylisocyanate,isocyanic acid, 3,4-dichlorophenyl ester,3,4-dichlorfenylisokyanat czech,ozw0b7f1du PubChem CID: 7607 IUPAC navn: 1,2-dichlor-4-isocyanatobenzen SMIL: C1=CC(=C(C=C1N=C=O)Cl)Cl

MDL nummer MFCD00002017
PubChem CID 7607
Molekylvægt (g/mol) 188.007
CAS 102-36-3
Synonym 3,4-dichlorophenyl isocyanate,benzene, 1,2-dichloro-4-isocyanato,3,4-dichlorfenylisokyanat,isocyanic acid 3,4-dichlorophenyl ester,3,4-dichlorophenylisocyanate,unii-ozw0b7f1du,3,4-dichlorphenylisocyanate,isocyanic acid, 3,4-dichlorophenyl ester,3,4-dichlorfenylisokyanat czech,ozw0b7f1du
SMIL C1=CC(=C(C=C1N=C=O)Cl)Cl
IUPAC navn 1,2-dichlor-4-isocyanatobenzen
InChI nøgle MFUVCHZWGSJKEQ-UHFFFAOYSA-N
Molekylær formel C7H3Cl2NO
12

4-Nitrophenyl isocyanate, 97%

CAS: 100-28-7 Molekylær formel: C7H4N2O3 Molekylvægt (g/mol): 164.12 MDL nummer: MFCD00007306 InChI nøgle: GFNKTLQTQSALEJ-UHFFFAOYSA-N Synonym: 4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate PubChem CID: 66012 IUPAC navn: 1-isocyanato-4-nitrobenzen SMIL: C1=CC(=CC=C1N=C=O)[N+](=O)[O-]

MDL nummer MFCD00007306
PubChem CID 66012
Molekylvægt (g/mol) 164.12
CAS 100-28-7
Synonym 4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate
SMIL C1=CC(=CC=C1N=C=O)[N+](=O)[O-]
IUPAC navn 1-isocyanato-4-nitrobenzen
InChI nøgle GFNKTLQTQSALEJ-UHFFFAOYSA-N
Molekylær formel C7H4N2O3
13

Cyclopentyl isocyanate, 97%

CAS: 4747-71-1 Molekylær formel: C6H9NO Molekylvægt (g/mol): 111.14 MDL nummer: MFCD02093695 InChI nøgle: CZALJDQHONFVFU-UHFFFAOYSA-N Synonym: cyclopentyl isocyanate,cyclopentylisocyanate,cyclopentane, isocyanato,isocyanic acid cyclopentyl ester,isocyanato cyclopentane,isocyanato-cyclopentane,acmc-1aspa,ksc497s6f PubChem CID: 643500 IUPAC navn: isocyanatocyclopentan SMIL: C1CCC(C1)N=C=O

MDL nummer MFCD02093695
PubChem CID 643500
Molekylvægt (g/mol) 111.14
CAS 4747-71-1
Synonym cyclopentyl isocyanate,cyclopentylisocyanate,cyclopentane, isocyanato,isocyanic acid cyclopentyl ester,isocyanato cyclopentane,isocyanato-cyclopentane,acmc-1aspa,ksc497s6f
SMIL C1CCC(C1)N=C=O
IUPAC navn isocyanatocyclopentan
InChI nøgle CZALJDQHONFVFU-UHFFFAOYSA-N
Molekylær formel C6H9NO
14

4-Nitrophenyl isocyanate, 98%

CAS: 100-28-7 Molekylær formel: C7H4N2O3 Molekylvægt (g/mol): 164.12 InChI nøgle: GFNKTLQTQSALEJ-UHFFFAOYSA-N Synonym: 4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate PubChem CID: 66012 IUPAC navn: 1-isocyanato-4-nitrobenzen SMIL: C1=CC(=CC=C1N=C=O)[N+](=O)[O-]

PubChem CID 66012
Molekylvægt (g/mol) 164.12
CAS 100-28-7
Synonym 4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate
SMIL C1=CC(=CC=C1N=C=O)[N+](=O)[O-]
IUPAC navn 1-isocyanato-4-nitrobenzen
InChI nøgle GFNKTLQTQSALEJ-UHFFFAOYSA-N
Molekylær formel C7H4N2O3
15

Ethoxycarbonylisocyanat, 90 %, tek., Thermo Scientific Chemicals

CAS: 19617-43-7 Molekylær formel: C4H5NO3 Molekylvægt (g/mol): 115.09 InChI nøgle: VMVZGGPZNHFGKS-UHFFFAOYSA-N Synonym: ethoxycarbonyl isocyanate,ethyl isocyanatoformate,ethyl carbonisocyanatidate,ethyl n-carbonylcarbamate,ethoxycarbonylisocyanate,carbonisocyanatidic acid, ethyl ester,ethyl isocyanatooate,ethylisocyanatoformate,acmc-20al2o,carbonisocyanatidicacid,ethylester PubChem CID: 300166 IUPAC navn: ethyl-N-(oxomethyliden)carbamat SMIL: CCOC(=O)N=C=O

PubChem CID 300166
Molekylvægt (g/mol) 115.09
CAS 19617-43-7
Synonym ethoxycarbonyl isocyanate,ethyl isocyanatoformate,ethyl carbonisocyanatidate,ethyl n-carbonylcarbamate,ethoxycarbonylisocyanate,carbonisocyanatidic acid, ethyl ester,ethyl isocyanatooate,ethylisocyanatoformate,acmc-20al2o,carbonisocyanatidicacid,ethylester
SMIL CCOC(=O)N=C=O
IUPAC navn ethyl-N-(oxomethyliden)carbamat
InChI nøgle VMVZGGPZNHFGKS-UHFFFAOYSA-N
Molekylær formel C4H5NO3