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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31 – 45 of 1,109 results

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m-Tolyl isocyanate, 99%

CAS: 621-29-4 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002021 InChI Key: CPPGZWWUPFWALU-UHFFFAOYSA-N Synonym: m-tolyl isocyanate,benzene, 1-isocyanato-3-methyl,meta-tolyl isocyanate,m-tolylisocyanate,m-isocyanatotoluene,3-methylphenyl isocyanate,3-tolyl isocyanate,3-methylphenylisocyanate,1-isocyanato-3-methyl-benzene,m-methylphenyl isocyanate PubChem CID: 69303 IUPAC Name: 1-isocyanato-3-methylbenzene SMILES: CC1=CC=CC(=C1)N=C=O

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PubChem CID	69303
CAS	621-29-4
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00002021
SMILES	CC1=CC=CC(=C1)N=C=O
Synonym	m-tolyl isocyanate,benzene, 1-isocyanato-3-methyl,meta-tolyl isocyanate,m-tolylisocyanate,m-isocyanatotoluene,3-methylphenyl isocyanate,3-tolyl isocyanate,3-methylphenylisocyanate,1-isocyanato-3-methyl-benzene,m-methylphenyl isocyanate
IUPAC Name	1-isocyanato-3-methylbenzene
InChI Key	CPPGZWWUPFWALU-UHFFFAOYSA-N
Molecular Formula	C8H7NO

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4-Nitrophenyl isocyanate, 98%

CAS: 100-28-7 Molecular Formula: C₇H₄N₂O₃ Molecular Weight (g/mol): 164.12 InChI Key: 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 Name: 1-isocyanato-4-nitrobenzene SMILES: C1=CC(=CC=C1N=C=O)[N+](=O)[O-]

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PubChem CID	66012
CAS	100-28-7
Molecular Weight (g/mol)	164.12
SMILES	C1=CC(=CC=C1N=C=O)[N+](=O)[O-]
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
IUPAC Name	1-isocyanato-4-nitrobenzene
InChI Key	GFNKTLQTQSALEJ-UHFFFAOYSA-N
Molecular Formula	C₇H₄N₂O₃

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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

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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

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

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

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Specifications

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

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2-Chloroethyl isocyanate, 98%

CAS: 1943-83-5 Molecular Formula: C₃H₄ClNO Molecular Weight (g/mol): 105.52 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

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Specifications

PubChem CID	16035
CAS	1943-83-5
Molecular Weight (g/mol)	105.52
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

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2,6-Diethylphenyl isocyanate, 98+%

CAS: 20458-99-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.23 MDL Number: MFCD00019912 InChI Key: AUSRFKVPUCQCCN-UHFFFAOYSA-N Synonym: 2,6-diethylphenyl isocyanate,2,6-diethylphenylisocyanate,1,3-diethyl-2-isocyanato-benzene,benzene, 1,3-diethyl-2-isocyanato,acmc-1co7s,2,6-diethylbenzenisocyanate,benzene,1,3-diethyl-2-isocyanato PubChem CID: 5153183 IUPAC Name: 1,3-diethyl-2-isocyanatobenzene SMILES: CCC1=CC=CC(CC)=C1N=C=O

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Specifications

PubChem CID	5153183
CAS	20458-99-5
Molecular Weight (g/mol)	175.23
MDL Number	MFCD00019912
SMILES	CCC1=CC=CC(CC)=C1N=C=O
Synonym	2,6-diethylphenyl isocyanate,2,6-diethylphenylisocyanate,1,3-diethyl-2-isocyanato-benzene,benzene, 1,3-diethyl-2-isocyanato,acmc-1co7s,2,6-diethylbenzenisocyanate,benzene,1,3-diethyl-2-isocyanato
IUPAC Name	1,3-diethyl-2-isocyanatobenzene
InChI Key	AUSRFKVPUCQCCN-UHFFFAOYSA-N
Molecular Formula	C11H13NO

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4-Methoxybenzyl isocyanate, 99%

CAS: 56651-60-6 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00673064 InChI Key: QRBHVARIMDDOOV-UHFFFAOYSA-N Synonym: 4-methoxybenzyl isocyanate,1-isocyanatomethyl-4-methoxybenzene,p-methoxybenzyl isocyanate,4-methoxybenzylisocyanate,isocyanic acid, p-methoxybenzyl,benzene, 1-isocyanatomethyl-4-methoxy,4-methoxyphenyl methanisocyanate,acmc-20amf5,p-methoxybenzylisocyanate,p-metoxybenzyl-isocyanate PubChem CID: 187910 IUPAC Name: 1-(isocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(CN=C=O)C=C1

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Specifications

PubChem CID	187910
CAS	56651-60-6
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00673064
SMILES	COC1=CC=C(CN=C=O)C=C1
Synonym	4-methoxybenzyl isocyanate,1-isocyanatomethyl-4-methoxybenzene,p-methoxybenzyl isocyanate,4-methoxybenzylisocyanate,isocyanic acid, p-methoxybenzyl,benzene, 1-isocyanatomethyl-4-methoxy,4-methoxyphenyl methanisocyanate,acmc-20amf5,p-methoxybenzylisocyanate,p-metoxybenzyl-isocyanate
IUPAC Name	1-(isocyanatomethyl)-4-methoxybenzene
InChI Key	QRBHVARIMDDOOV-UHFFFAOYSA-N
Molecular Formula	C9H9NO2

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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

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Specifications

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

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3-Nitrophenyl isocyanate, 97%

CAS: 3320-87-4 Molecular Formula: C7H4N2O3 Molecular Weight (g/mol): 164.12 MDL Number: MFCD00007220 InChI Key: GFFGYTMCNVMFAJ-UHFFFAOYSA-N Synonym: 3-nitrophenyl isocyanate,m-nitrophenyl isocyanate,benzene, 1-isocyanato-3-nitro,3-nitrophenylisocyanate,isocyanic acid, m-nitrophenyl ester,3-nitrobenzenisocyanate,m-nitrophenylisocyanate,3-nitropheny isocyanate,pubchem15729,acmc-1ckin PubChem CID: 76835 IUPAC Name: 1-isocyanato-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(=C1)N=C=O

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Specifications

PubChem CID	76835
CAS	3320-87-4
Molecular Weight (g/mol)	164.12
MDL Number	MFCD00007220
SMILES	[O-][N+](=O)C1=CC=CC(=C1)N=C=O
Synonym	3-nitrophenyl isocyanate,m-nitrophenyl isocyanate,benzene, 1-isocyanato-3-nitro,3-nitrophenylisocyanate,isocyanic acid, m-nitrophenyl ester,3-nitrobenzenisocyanate,m-nitrophenylisocyanate,3-nitropheny isocyanate,pubchem15729,acmc-1ckin
IUPAC Name	1-isocyanato-3-nitrobenzene
InChI Key	GFFGYTMCNVMFAJ-UHFFFAOYSA-N
Molecular Formula	C7H4N2O3

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

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Specifications

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

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

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

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Specifications

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

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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

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Specifications

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

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2,4-Dichlorophenyl isocyanate, 96%

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

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Specifications

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

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Ethyl 3-isocyanatopropionate, 98%

CAS: 5100-34-5 Molecular Formula: C6H9NO3 Molecular Weight (g/mol): 143.14 MDL Number: MFCD00078461 InChI Key: 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 Name: ethyl 3-isocyanatopropanoate SMILES: CCOC(=O)CCN=C=O

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Specifications

PubChem CID	2733373
CAS	5100-34-5
Molecular Weight (g/mol)	143.14
MDL Number	MFCD00078461
SMILES	CCOC(=O)CCN=C=O
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
IUPAC Name	ethyl 3-isocyanatopropanoate
InChI Key	XBSGYVHOINMTIM-UHFFFAOYSA-N
Molecular Formula	C6H9NO3

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2,3-Dichlorophenyl isocyanate, 97%

CAS: 41195-90-8 Molecular Formula: C7H3Cl2NO Molecular Weight (g/mol): 188.01 MDL Number: MFCD00002000 InChI Key: FYWJWWMKCARWQG-UHFFFAOYSA-N Synonym: 2,3-dichlorophenyl isocyanate,2,3-dichlorophenylisocyanate,benzene, 1,2-dichloro-3-isocyanato,1,2-dichloro-3-isocyanato-benzene,2,3-dichlorobenzenisocyanate,benzene, dichloroisocyanato,dichlorphenylisocyanate,dichlorophenyl isocyanate,acmc-1ap4f,2,3dichlorophenylisocyanate PubChem CID: 33050 IUPAC Name: 1,2-dichloro-3-isocyanatobenzene SMILES: ClC1=CC=CC(N=C=O)=C1Cl

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Specifications

PubChem CID	33050
CAS	41195-90-8
Molecular Weight (g/mol)	188.01
MDL Number	MFCD00002000
SMILES	ClC1=CC=CC(N=C=O)=C1Cl
Synonym	2,3-dichlorophenyl isocyanate,2,3-dichlorophenylisocyanate,benzene, 1,2-dichloro-3-isocyanato,1,2-dichloro-3-isocyanato-benzene,2,3-dichlorobenzenisocyanate,benzene, dichloroisocyanato,dichlorphenylisocyanate,dichlorophenyl isocyanate,acmc-1ap4f,2,3dichlorophenylisocyanate
IUPAC Name	1,2-dichloro-3-isocyanatobenzene
InChI Key	FYWJWWMKCARWQG-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2NO

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