Benzenoids
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2-Isopropylphenyl isocyanate, 97%
CAS: 56309-56-9 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00013850 InChI Key: MWBSQVPLYJZPTG-UHFFFAOYSA-N Synonym: 2-isopropylphenyl isocyanate,1-isocyanato-2-isopropylbenzene,o-isopropylphenyl isocyanate,2-isopropylphenylisocyanate,1-isocyanato-2-propan-2-yl benzene,1-isocyanato-2-isopropyl-benzene,2-methylethyl benzenisocyanate,acmc-1avxp,isopropylphenyl isocyanate PubChem CID: 91797 IUPAC Name: 1-isocyanato-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1N=C=O
| PubChem CID | 91797 |
|---|---|
| CAS | 56309-56-9 |
| Molecular Weight (g/mol) | 161.204 |
| MDL Number | MFCD00013850 |
| SMILES | CC(C)C1=CC=CC=C1N=C=O |
| Synonym | 2-isopropylphenyl isocyanate,1-isocyanato-2-isopropylbenzene,o-isopropylphenyl isocyanate,2-isopropylphenylisocyanate,1-isocyanato-2-propan-2-yl benzene,1-isocyanato-2-isopropyl-benzene,2-methylethyl benzenisocyanate,acmc-1avxp,isopropylphenyl isocyanate |
| IUPAC Name | 1-isocyanato-2-propan-2-ylbenzene |
| InChI Key | MWBSQVPLYJZPTG-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO |
3-Fluoro-4-(trifluoromethyl)benzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 445303-67-3 Molecular Formula: C13H15BF4O2 Molecular Weight (g/mol): 290.065 MDL Number: MFCD09878544 InChI Key: FPCSARGPMNDYAO-UHFFFAOYSA-N Synonym: 2-3-fluoro-4-trifluoromethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-fluoro-4-trifluoromethyl phenylboronic acid pinacol ester,3-fluoro-4-trifluoromethyl phenylboronic acid, pinacol ester,3-fluoro-4-trifluoromethyl benzeneboronic acid pinacol ester,1,3,2-dioxaborolane, 2-3-fluoro-4-trifluoromethyl phenyl-4,4,5,5-tetramethyl,2-3-fluoro-4-trifluoromethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane PubChem CID: 46739054 IUPAC Name: 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(F)(F)F)F
| PubChem CID | 46739054 |
|---|---|
| CAS | 445303-67-3 |
| Molecular Weight (g/mol) | 290.065 |
| MDL Number | MFCD09878544 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(F)(F)F)F |
| Synonym | 2-3-fluoro-4-trifluoromethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-fluoro-4-trifluoromethyl phenylboronic acid pinacol ester,3-fluoro-4-trifluoromethyl phenylboronic acid, pinacol ester,3-fluoro-4-trifluoromethyl benzeneboronic acid pinacol ester,1,3,2-dioxaborolane, 2-3-fluoro-4-trifluoromethyl phenyl-4,4,5,5-tetramethyl,2-3-fluoro-4-trifluoromethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane |
| IUPAC Name | 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | FPCSARGPMNDYAO-UHFFFAOYSA-N |
| Molecular Formula | C13H15BF4O2 |
4-Bromo-2,3-difluorobenzaldehyde, 98%
CAS: 644985-24-0 Molecular Formula: C7H3BrF2O Molecular Weight (g/mol): 221.001 MDL Number: MFCD09258953 InChI Key: IMOLPSNRLZLWQR-UHFFFAOYSA-N Synonym: 2,3-difluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2,3-difluoro,1-bromo-2,3-difluoro-4-formylbenzene,pubchem10068,4-bromo-2,3-difluoro-benzaldehyde,4-bromanyl-2,3-bis fluoranyl benzaldehyde,4-bromo-2, 3-difluorobenzaldehyde PubChem CID: 26986390 IUPAC Name: 4-bromo-2,3-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1C=O)F)F)Br
| PubChem CID | 26986390 |
|---|---|
| CAS | 644985-24-0 |
| Molecular Weight (g/mol) | 221.001 |
| MDL Number | MFCD09258953 |
| SMILES | C1=CC(=C(C(=C1C=O)F)F)Br |
| Synonym | 2,3-difluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2,3-difluoro,1-bromo-2,3-difluoro-4-formylbenzene,pubchem10068,4-bromo-2,3-difluoro-benzaldehyde,4-bromanyl-2,3-bis fluoranyl benzaldehyde,4-bromo-2, 3-difluorobenzaldehyde |
| IUPAC Name | 4-bromo-2,3-difluorobenzaldehyde |
| InChI Key | IMOLPSNRLZLWQR-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF2O |
4-Methoxyphenol, 99%, Spectrum™ Chemical
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CAS: 150-76-5
| CAS | 150-76-5 |
|---|
4-Benzyloxyphenol, 98+%
CAS: 103-16-2 Molecular Formula: C13H12O2 MDL Number: MFCD00002333 InChI Key: VYQNWZOUAUKGHI-UHFFFAOYSA-N Synonym: 4-benzyloxyphenol,monobenzone,4-benzyloxy phenol,hydroquinone monobenzyl ether,benoquin,benzoquin,superlite,monobenzyl hydroquinone,leucodinine,monobenzon PubChem CID: 7638 ChEBI: CHEBI:34380 IUPAC Name: 4-phenylmethoxyphenol
| PubChem CID | 7638 |
|---|---|
| CAS | 103-16-2 |
| ChEBI | CHEBI:34380 |
| MDL Number | MFCD00002333 |
| Synonym | 4-benzyloxyphenol,monobenzone,4-benzyloxy phenol,hydroquinone monobenzyl ether,benoquin,benzoquin,superlite,monobenzyl hydroquinone,leucodinine,monobenzon |
| IUPAC Name | 4-phenylmethoxyphenol |
| InChI Key | VYQNWZOUAUKGHI-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
4-tert-Butylaniline, 98+%
CAS: 769-92-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00007899 InChI Key: WRDWWAVNELMWAM-UHFFFAOYSA-N Synonym: 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine PubChem CID: 69861 IUPAC Name: 4-tert-butylaniline SMILES: CC(C)(C)C1=CC=C(C=C1)N
| PubChem CID | 69861 |
|---|---|
| CAS | 769-92-6 |
| Molecular Weight (g/mol) | 149.237 |
| MDL Number | MFCD00007899 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)N |
| Synonym | 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine |
| IUPAC Name | 4-tert-butylaniline |
| InChI Key | WRDWWAVNELMWAM-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
1,3-Dibromo-2-chloro-5-fluorobenzene, 98%, Thermo Scientific Chemicals
CAS: 179897-90-6 Molecular Formula: C6H2Br2ClF Molecular Weight (g/mol): 288.34 MDL Number: MFCD00061122 InChI Key: PZKDJJMHRYNBOR-UHFFFAOYSA-N Synonym: 1-chloro-2,6-dibromo-4-fluorobenzene,2,6-dibromo-4-fluorochlorobenzene,2-chloro-1,3-dibromo-5-fluorobenzene,4-chloro-3,5-dibromo-1-fluorobenzene,benzene, 1,3-dibromo-2-chloro-5-fluoro,pubchem3411,acmc-1c9lw,2,6-dibromo-4-fluoro-1-chlorobenzene,benzene,1,3-dibromo-2-chloro-5-fluoro PubChem CID: 2724604 IUPAC Name: 1,3-dibromo-2-chloro-5-fluorobenzene SMILES: FC1=CC(Br)=C(Cl)C(Br)=C1
| PubChem CID | 2724604 |
|---|---|
| CAS | 179897-90-6 |
| Molecular Weight (g/mol) | 288.34 |
| MDL Number | MFCD00061122 |
| SMILES | FC1=CC(Br)=C(Cl)C(Br)=C1 |
| Synonym | 1-chloro-2,6-dibromo-4-fluorobenzene,2,6-dibromo-4-fluorochlorobenzene,2-chloro-1,3-dibromo-5-fluorobenzene,4-chloro-3,5-dibromo-1-fluorobenzene,benzene, 1,3-dibromo-2-chloro-5-fluoro,pubchem3411,acmc-1c9lw,2,6-dibromo-4-fluoro-1-chlorobenzene,benzene,1,3-dibromo-2-chloro-5-fluoro |
| IUPAC Name | 1,3-dibromo-2-chloro-5-fluorobenzene |
| InChI Key | PZKDJJMHRYNBOR-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2ClF |
1,2-Difluorobenzene, 98%
CAS: 367-11-3 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000284 InChI Key: GOYDNIKZWGIXJT-UHFFFAOYSA-N Synonym: o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene PubChem CID: 9706 ChEBI: CHEBI:38583 IUPAC Name: 1,2-difluorobenzene SMILES: FC1=CC=CC=C1F
| PubChem CID | 9706 |
|---|---|
| CAS | 367-11-3 |
| Molecular Weight (g/mol) | 114.10 |
| ChEBI | CHEBI:38583 |
| MDL Number | MFCD00000284 |
| SMILES | FC1=CC=CC=C1F |
| Synonym | o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene |
| IUPAC Name | 1,2-difluorobenzene |
| InChI Key | GOYDNIKZWGIXJT-UHFFFAOYSA-N |
| Molecular Formula | C6H4F2 |
Benzyl Alcohol, NF, EP, BP, JP, bioCERTIFIED™, 500 mL, Spectrum Chemical
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2-Nitro-4-(trifluoromethyl)phenol, 98%
CAS: 400-99-7 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00009791 InChI Key: XZEDEVRSUANQEM-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl phenol,4-hydroxy-3-nitrobenzotrifluoride,phenol, 2-nitro-4-trifluoromethyl,2-nitro-4-trifluoromethylphenol,2-nitro-alpha,alpha,alpha-trifluoro-p-cresol,4-hydroxy-3-nitrobenzotrifluoroide,p-cresol, 2-nitro-alpha,alpha,alpha-trifluoro,2-nitro-4-trifluoromethyl-phenol,pubchem4150,4-06-00-02150 beilstein handbook reference PubChem CID: 9816 IUPAC Name: 2-nitro-4-(trifluoromethyl)phenol SMILES: OC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F
| PubChem CID | 9816 |
|---|---|
| CAS | 400-99-7 |
| Molecular Weight (g/mol) | 207.11 |
| MDL Number | MFCD00009791 |
| SMILES | OC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F |
| Synonym | 2-nitro-4-trifluoromethyl phenol,4-hydroxy-3-nitrobenzotrifluoride,phenol, 2-nitro-4-trifluoromethyl,2-nitro-4-trifluoromethylphenol,2-nitro-alpha,alpha,alpha-trifluoro-p-cresol,4-hydroxy-3-nitrobenzotrifluoroide,p-cresol, 2-nitro-alpha,alpha,alpha-trifluoro,2-nitro-4-trifluoromethyl-phenol,pubchem4150,4-06-00-02150 beilstein handbook reference |
| IUPAC Name | 2-nitro-4-(trifluoromethyl)phenol |
| InChI Key | XZEDEVRSUANQEM-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO3 |
5-Fluoro-2-iodoaniline, 97%
CAS: 255724-71-1 Molecular Formula: C6H5FIN Molecular Weight (g/mol): 237.02 MDL Number: MFCD02093953 InChI Key: UCPDOOZBROQHME-UHFFFAOYSA-N Synonym: benzenamine, 5-fluoro-2-iodo,5-fluoro-2-iodo-aniline,5-fluoro-2-iodo-phenylamine,2-iodo-5-fluoroaniline,5-fluoro-2-iodophenylamine,pubchem1535,acmc-20a2iw,3-fluoro-6-iodoaniline,intermediates-zcf02682,5-fluoro-2-iodobenzenamine PubChem CID: 2774512 IUPAC Name: 5-fluoro-2-iodoaniline SMILES: NC1=C(I)C=CC(F)=C1
| PubChem CID | 2774512 |
|---|---|
| CAS | 255724-71-1 |
| Molecular Weight (g/mol) | 237.02 |
| MDL Number | MFCD02093953 |
| SMILES | NC1=C(I)C=CC(F)=C1 |
| Synonym | benzenamine, 5-fluoro-2-iodo,5-fluoro-2-iodo-aniline,5-fluoro-2-iodo-phenylamine,2-iodo-5-fluoroaniline,5-fluoro-2-iodophenylamine,pubchem1535,acmc-20a2iw,3-fluoro-6-iodoaniline,intermediates-zcf02682,5-fluoro-2-iodobenzenamine |
| IUPAC Name | 5-fluoro-2-iodoaniline |
| InChI Key | UCPDOOZBROQHME-UHFFFAOYSA-N |
| Molecular Formula | C6H5FIN |
Bis(4-bromophenyl) ether, 99%
CAS: 2050-47-7 Molecular Formula: C12H8Br2O Molecular Weight (g/mol): 328.003 MDL Number: MFCD00000095 InChI Key: YAWIAFUBXXPJMQ-UHFFFAOYSA-N Synonym: bis 4-bromophenyl ether,4,4'-dibromodiphenyl ether,4,4'-oxybis bromobenzene,4-bromophenyl ether,p,p'-dibromodiphenyl ether,usaf do-61,1-bromo-4-4-bromophenoxy benzene,bis p-bromophenyl ether,ether, bis p-bromophenyl,benzene, 1,1'-oxybis 4-bromo PubChem CID: 16305 IUPAC Name: 1-bromo-4-(4-bromophenoxy)benzene SMILES: C1=CC(=CC=C1OC2=CC=C(C=C2)Br)Br
| PubChem CID | 16305 |
|---|---|
| CAS | 2050-47-7 |
| Molecular Weight (g/mol) | 328.003 |
| MDL Number | MFCD00000095 |
| SMILES | C1=CC(=CC=C1OC2=CC=C(C=C2)Br)Br |
| Synonym | bis 4-bromophenyl ether,4,4'-dibromodiphenyl ether,4,4'-oxybis bromobenzene,4-bromophenyl ether,p,p'-dibromodiphenyl ether,usaf do-61,1-bromo-4-4-bromophenoxy benzene,bis p-bromophenyl ether,ether, bis p-bromophenyl,benzene, 1,1'-oxybis 4-bromo |
| IUPAC Name | 1-bromo-4-(4-bromophenoxy)benzene |
| InChI Key | YAWIAFUBXXPJMQ-UHFFFAOYSA-N |
| Molecular Formula | C12H8Br2O |
1-Chloro-3-iodobenzene, 97%, Thermo Scientific™
CAS: 625-99-0 Molecular Formula: C6H4ClI Molecular Weight (g/mol): 238.45 MDL Number: MFCD00001046 InChI Key: JMLWXCJXOYDXRN-UHFFFAOYSA-N Synonym: 3-chloroiodobenzene,m-chloroiodobenzene,benzene, 1-chloro-3-iodo,3-iodochlorobenzene,3-chloro-1-iodobenzene,1-chloro-3-iodo-benzene,m-chlorophenyl iodide,m-iodochlorobenzene,metachloroiodobenzene,3-chloro-iodobenzene PubChem CID: 12269 IUPAC Name: 1-chloro-3-iodobenzene SMILES: ClC1=CC=CC(I)=C1
| PubChem CID | 12269 |
|---|---|
| CAS | 625-99-0 |
| Molecular Weight (g/mol) | 238.45 |
| MDL Number | MFCD00001046 |
| SMILES | ClC1=CC=CC(I)=C1 |
| Synonym | 3-chloroiodobenzene,m-chloroiodobenzene,benzene, 1-chloro-3-iodo,3-iodochlorobenzene,3-chloro-1-iodobenzene,1-chloro-3-iodo-benzene,m-chlorophenyl iodide,m-iodochlorobenzene,metachloroiodobenzene,3-chloro-iodobenzene |
| IUPAC Name | 1-chloro-3-iodobenzene |
| InChI Key | JMLWXCJXOYDXRN-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClI |
| CAS | 4965-09-7 |
|---|---|
| MDL Number | MFCD00798989 |
1-Bromo-2-chloro-4-nitrobenzene, 98%
CAS: 29682-39-1 Molecular Formula: C6H3BrClNO2 Molecular Weight (g/mol): 236.449 MDL Number: MFCD00051514 InChI Key: YKSXEJZFIQAUHJ-UHFFFAOYSA-N Synonym: 4-bromo-3-chloronitrobenzene,benzene,1-bromo-2-chloro-4-nitro,pubchem22601,acmc-209vlc,2-chloro-4-nitro-bromobenzene,4-bromo-3-chloro-nitrobenzene,bromo-2-chloro-4-nitrobenzene,1-bromanyl-2-chloranyl-4-nitro-benzene PubChem CID: 34667 IUPAC Name: 1-bromo-2-chloro-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br
| PubChem CID | 34667 |
|---|---|
| CAS | 29682-39-1 |
| Molecular Weight (g/mol) | 236.449 |
| MDL Number | MFCD00051514 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br |
| Synonym | 4-bromo-3-chloronitrobenzene,benzene,1-bromo-2-chloro-4-nitro,pubchem22601,acmc-209vlc,2-chloro-4-nitro-bromobenzene,4-bromo-3-chloro-nitrobenzene,bromo-2-chloro-4-nitrobenzene,1-bromanyl-2-chloranyl-4-nitro-benzene |
| IUPAC Name | 1-bromo-2-chloro-4-nitrobenzene |
| InChI Key | YKSXEJZFIQAUHJ-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClNO2 |