Benzene and substituted derivatives
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3,4-Dichlorobenzyl chloride, 98+%
CAS: 102-47-6 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000906 InChI Key: YZIFVWOCPGPNHB-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro PubChem CID: 7609 IUPAC Name: 1,2-dichloro-4-(chloromethyl)benzene SMILES: C1=CC(=C(C=C1CCl)Cl)Cl
| PubChem CID | 7609 |
|---|---|
| CAS | 102-47-6 |
| Molecular Weight (g/mol) | 195.47 |
| MDL Number | MFCD00000906 |
| SMILES | C1=CC(=C(C=C1CCl)Cl)Cl |
| Synonym | 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro |
| IUPAC Name | 1,2-dichloro-4-(chloromethyl)benzene |
| InChI Key | YZIFVWOCPGPNHB-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl3 |
Econazole nitrate
CAS: 24169-02-6 Molecular Formula: C18H16Cl3N3O4 Molecular Weight (g/mol): 444.693 MDL Number: MFCD00058160 InChI Key: DDXORDQKGIZAME-UHFFFAOYSA-N Synonym: econazole nitrate,ifenec,epi-pevaryl,gyno-pevaryl,econazole nitrate salt,pevaryl,+--econazole nitrate,spectazole,econazolum nitrate,gyno-pevaryl 150 PubChem CID: 68589 IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid SMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
| PubChem CID | 68589 |
|---|---|
| CAS | 24169-02-6 |
| Molecular Weight (g/mol) | 444.693 |
| MDL Number | MFCD00058160 |
| SMILES | C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-] |
| Synonym | econazole nitrate,ifenec,epi-pevaryl,gyno-pevaryl,econazole nitrate salt,pevaryl,+--econazole nitrate,spectazole,econazolum nitrate,gyno-pevaryl 150 |
| IUPAC Name | 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid |
| InChI Key | DDXORDQKGIZAME-UHFFFAOYSA-N |
| Molecular Formula | C18H16Cl3N3O4 |
o-Xylylene dibromide, 97%
CAS: 91-13-4 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000175 InChI Key: KGKAYWMGPDWLQZ-UHFFFAOYSA-N Synonym: 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776 PubChem CID: 66665 IUPAC Name: 1,2-bis(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)CBr
| PubChem CID | 66665 |
|---|---|
| CAS | 91-13-4 |
| Molecular Weight (g/mol) | 263.96 |
| MDL Number | MFCD00000175 |
| SMILES | C1=CC=C(C(=C1)CBr)CBr |
| Synonym | 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776 |
| IUPAC Name | 1,2-bis(bromomethyl)benzene |
| InChI Key | KGKAYWMGPDWLQZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2 |
Benzyloxyacetaldehyde, 95%, stabilized
CAS: 60656-87-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00191779 InChI Key: NFNOAHXEQXMCGT-UHFFFAOYSA-N Synonym: 2-benzyloxy acetaldehyde,benzyloxyacetaldehyde,benzyloxy acetaldehyde,phenylmethoxy acetaldehyde,acetaldehyde, phenylmethoxy,acetaldehyde,2-phenylmethoxy,acmc-20ahpl,benzyloxy-acetaldehyde,2-phenylmethoxyethanal PubChem CID: 108989 SMILES: O=CCOCC1=CC=CC=C1
| PubChem CID | 108989 |
|---|---|
| CAS | 60656-87-3 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00191779 |
| SMILES | O=CCOCC1=CC=CC=C1 |
| Synonym | 2-benzyloxy acetaldehyde,benzyloxyacetaldehyde,benzyloxy acetaldehyde,phenylmethoxy acetaldehyde,acetaldehyde, phenylmethoxy,acetaldehyde,2-phenylmethoxy,acmc-20ahpl,benzyloxy-acetaldehyde,2-phenylmethoxyethanal |
| InChI Key | NFNOAHXEQXMCGT-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
4-Bromomethylbenzenesulfonyl chloride, 95%
CAS: 66176-39-4 Molecular Formula: C7H6BrClO2S Molecular Weight (g/mol): 269.55 MDL Number: MFCD00156129 InChI Key: QXTQWYZHHMQSQH-UHFFFAOYSA-N Synonym: 4-bromomethyl benzenesulfonyl chloride,4-bromomethyl benzene-1-sulfonyl chloride,4-bromomethyl benzenesulfonylchloride,alpha-bromo-p-toluenesulphonyl chloride,alpha-bromo-p-toluenesulfonyl chloride,4-bromomethyl benzenesulphonyl chloride,4-bromomethyl benzene-1-sulfonylchloride,buttpark 94\04-08,4-bromomethyl phenyl chlorosulfone,4-bromomethylene benzenesulfonyl chloride PubChem CID: 2734409 IUPAC Name: 4-(bromomethyl)benzenesulfonyl chloride SMILES: C1=CC(=CC=C1CBr)S(=O)(=O)Cl
| PubChem CID | 2734409 |
|---|---|
| CAS | 66176-39-4 |
| Molecular Weight (g/mol) | 269.55 |
| MDL Number | MFCD00156129 |
| SMILES | C1=CC(=CC=C1CBr)S(=O)(=O)Cl |
| Synonym | 4-bromomethyl benzenesulfonyl chloride,4-bromomethyl benzene-1-sulfonyl chloride,4-bromomethyl benzenesulfonylchloride,alpha-bromo-p-toluenesulphonyl chloride,alpha-bromo-p-toluenesulfonyl chloride,4-bromomethyl benzenesulphonyl chloride,4-bromomethyl benzene-1-sulfonylchloride,buttpark 94\04-08,4-bromomethyl phenyl chlorosulfone,4-bromomethylene benzenesulfonyl chloride |
| IUPAC Name | 4-(bromomethyl)benzenesulfonyl chloride |
| InChI Key | QXTQWYZHHMQSQH-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO2S |
2-Aminobenzyl alcohol, 98%
CAS: 5344-90-1 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007749 InChI Key: VYFOAVADNIHPTR-UHFFFAOYSA-N Synonym: 2-aminobenzyl alcohol,2-aminophenyl methanol,2-aminobenzylalcohol,o-aminobenzyl alcohol,2-aminobenzenemethanol,benzenemethanol, 2-amino,o-aminobenzylic alcohol,o-hydroxymethyl aniline,benzyl alcohol, o-amino,2-hydroxymethylaniline PubChem CID: 21439 IUPAC Name: (2-aminophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)N
| PubChem CID | 21439 |
|---|---|
| CAS | 5344-90-1 |
| Molecular Weight (g/mol) | 123.15 |
| MDL Number | MFCD00007749 |
| SMILES | C1=CC=C(C(=C1)CO)N |
| Synonym | 2-aminobenzyl alcohol,2-aminophenyl methanol,2-aminobenzylalcohol,o-aminobenzyl alcohol,2-aminobenzenemethanol,benzenemethanol, 2-amino,o-aminobenzylic alcohol,o-hydroxymethyl aniline,benzyl alcohol, o-amino,2-hydroxymethylaniline |
| IUPAC Name | (2-aminophenyl)methanol |
| InChI Key | VYFOAVADNIHPTR-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
trans-Styrylacetic acid, 96%
CAS: 1914-58-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00002783 InChI Key: PSCXFXNEYIHJST-QPJJXVBHSA-N Synonym: trans-styrylacetic acid,e-4-phenylbut-3-enoic acid,3e-4-phenylbut-3-enoic acid,4-phenyl-3-butenoic acid,3-butenoic acid, 4-phenyl,3-butenoic acid, 4-phenyl-, 3e,styrylacetic acid,e-4-phenyl-3-butenoic acid,e-styrylacetic acid PubChem CID: 5370625 SMILES: OC(=O)C\C=C\C1=CC=CC=C1
| PubChem CID | 5370625 |
|---|---|
| CAS | 1914-58-5 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00002783 |
| SMILES | OC(=O)C\C=C\C1=CC=CC=C1 |
| Synonym | trans-styrylacetic acid,e-4-phenylbut-3-enoic acid,3e-4-phenylbut-3-enoic acid,4-phenyl-3-butenoic acid,3-butenoic acid, 4-phenyl,3-butenoic acid, 4-phenyl-, 3e,styrylacetic acid,e-4-phenyl-3-butenoic acid,e-styrylacetic acid |
| InChI Key | PSCXFXNEYIHJST-QPJJXVBHSA-N |
| Molecular Formula | C10H10O2 |
Cinnamaldoxime, (E)+(Z), 98%
CAS: 13372-81-1 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00019969 InChI Key: RUQDOYIAKHIMAN-DAAQNPAKSA-N Synonym: cinnamaldehyde oxime,3-phenylacrylaldehyde oxime,phenylacrylaldehyde oxime,e-n-2e-3-phenylprop-2-en-1-ylidene hydroxylamine,n-hydroxy-3-phenylprop-2-en-1-imine,n-3-phenylprop-2-en-1-ylidene hydroxylamine,3-phenylpropenal oxime,benzeneacrylaldehydeoxime,3-phenyl-2-propenal oxime,cinnamaldoxime, e + z PubChem CID: 9561350 IUPAC Name: (NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine SMILES: O\N=C\C=C\C1=CC=CC=C1
| PubChem CID | 9561350 |
|---|---|
| CAS | 13372-81-1 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD00019969 |
| SMILES | O\N=C\C=C\C1=CC=CC=C1 |
| Synonym | cinnamaldehyde oxime,3-phenylacrylaldehyde oxime,phenylacrylaldehyde oxime,e-n-2e-3-phenylprop-2-en-1-ylidene hydroxylamine,n-hydroxy-3-phenylprop-2-en-1-imine,n-3-phenylprop-2-en-1-ylidene hydroxylamine,3-phenylpropenal oxime,benzeneacrylaldehydeoxime,3-phenyl-2-propenal oxime,cinnamaldoxime, e + z |
| IUPAC Name | (NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine |
| InChI Key | RUQDOYIAKHIMAN-DAAQNPAKSA-N |
| Molecular Formula | C9H9NO |
4-Vinylaniline, 90%, technical, stabilized
CAS: 1520-21-4 Molecular Formula: C8H9N Molecular Weight (g/mol): 119.17 MDL Number: MFCD00015329 InChI Key: LBSXSAXOLABXMF-UHFFFAOYSA-N Synonym: 4-vinylaniline,4-aminostyrene,p-aminostyrene,benzenamine, 4-ethenyl,4-aminostryene,ccris 4326,benzenamine,4-ethenyl,p-vinylaniline,p-amino styrene,para-aminostyrene PubChem CID: 73700 IUPAC Name: 4-ethenylaniline SMILES: C=CC1=CC=C(C=C1)N
| PubChem CID | 73700 |
|---|---|
| CAS | 1520-21-4 |
| Molecular Weight (g/mol) | 119.17 |
| MDL Number | MFCD00015329 |
| SMILES | C=CC1=CC=C(C=C1)N |
| Synonym | 4-vinylaniline,4-aminostyrene,p-aminostyrene,benzenamine, 4-ethenyl,4-aminostryene,ccris 4326,benzenamine,4-ethenyl,p-vinylaniline,p-amino styrene,para-aminostyrene |
| IUPAC Name | 4-ethenylaniline |
| InChI Key | LBSXSAXOLABXMF-UHFFFAOYSA-N |
| Molecular Formula | C8H9N |
2-Chloro-6-fluorobenzylideneacetone, 98%
CAS: 175136-82-0 Molecular Formula: C10H8ClFO Molecular Weight (g/mol): 198.621 MDL Number: MFCD00051608 InChI Key: VZRBDBXFAKDNDJ-AATRIKPKSA-N Synonym: 2-chloro-6-fluorobenzylideneacetone,3e-4-2-chloro-6-fluorophenyl but-3-en-2-one,4-2-chloro-6-fluorophenyl but-3-en-2-one,1-2-chloro-6-fluorophenyl but-1-en-3-one,e-4-2-chloro-6-fluoro-phenyl but-3-en-2-one,labotest-bb lt00455271,1-2-chloro-6-fluorophenyl-1-buten-2-one,e-4-2-chloro-6-fluorophenyl-3-buten-2-one,e-4-2-chloro-6-fluorophenyl but-3-en-2-one PubChem CID: 5373895 IUPAC Name: (E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one SMILES: CC(=O)C=CC1=C(C=CC=C1Cl)F
| PubChem CID | 5373895 |
|---|---|
| CAS | 175136-82-0 |
| Molecular Weight (g/mol) | 198.621 |
| MDL Number | MFCD00051608 |
| SMILES | CC(=O)C=CC1=C(C=CC=C1Cl)F |
| Synonym | 2-chloro-6-fluorobenzylideneacetone,3e-4-2-chloro-6-fluorophenyl but-3-en-2-one,4-2-chloro-6-fluorophenyl but-3-en-2-one,1-2-chloro-6-fluorophenyl but-1-en-3-one,e-4-2-chloro-6-fluoro-phenyl but-3-en-2-one,labotest-bb lt00455271,1-2-chloro-6-fluorophenyl-1-buten-2-one,e-4-2-chloro-6-fluorophenyl-3-buten-2-one,e-4-2-chloro-6-fluorophenyl but-3-en-2-one |
| IUPAC Name | (E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one |
| InChI Key | VZRBDBXFAKDNDJ-AATRIKPKSA-N |
| Molecular Formula | C10H8ClFO |
3-Vinylbenzoic acid, 96%
CAS: 28447-20-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00157038 InChI Key: VWXZFDWVWMQRQR-UHFFFAOYSA-N PubChem CID: 4438231 IUPAC Name: 3-ethenylbenzoic acid SMILES: C=CC1=CC(=CC=C1)C(=O)O
| PubChem CID | 4438231 |
|---|---|
| CAS | 28447-20-3 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00157038 |
| SMILES | C=CC1=CC(=CC=C1)C(=O)O |
| IUPAC Name | 3-ethenylbenzoic acid |
| InChI Key | VWXZFDWVWMQRQR-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
2-Vinylbenzoic acid, 96%
CAS: 27326-43-8 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD02066273 InChI Key: XUDBVJCTLZTSDC-UHFFFAOYSA-N PubChem CID: 3015504 IUPAC Name: 2-ethenylbenzoic acid SMILES: C=CC1=CC=CC=C1C(=O)O
| PubChem CID | 3015504 |
|---|---|
| CAS | 27326-43-8 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD02066273 |
| SMILES | C=CC1=CC=CC=C1C(=O)O |
| IUPAC Name | 2-ethenylbenzoic acid |
| InChI Key | XUDBVJCTLZTSDC-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
2-Chloro-beta-nitrostyrene, 98%
CAS: 3156-34-1 Molecular Formula: C8H6ClNO2 Molecular Weight (g/mol): 183.591 MDL Number: MFCD00024820 InChI Key: QHKJTRDWAZGBLR-AATRIKPKSA-N Synonym: 1-chloro-2-2-nitrovinyl benzene,2-chloro-omega-nitrostyrene,2-chloro-b-nitrostyrene,e-1-chloro-2-2-nitrovinyl benzene,1-chloro-2-e-2-nitrovinyl benzene,trans-2-chloro-beta-nitrostyrene,2-chloro-beta-nitrostyrene,styrene, o-chloro-.beta.-nitro,benzene,1-chloro-2-2-nitroethenyl,1-chloro-2-e-2-nitroethenyl benzene PubChem CID: 5369313 IUPAC Name: 1-chloro-2-[(E)-2-nitroethenyl]benzene SMILES: C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl
| PubChem CID | 5369313 |
|---|---|
| CAS | 3156-34-1 |
| Molecular Weight (g/mol) | 183.591 |
| MDL Number | MFCD00024820 |
| SMILES | C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl |
| Synonym | 1-chloro-2-2-nitrovinyl benzene,2-chloro-omega-nitrostyrene,2-chloro-b-nitrostyrene,e-1-chloro-2-2-nitrovinyl benzene,1-chloro-2-e-2-nitrovinyl benzene,trans-2-chloro-beta-nitrostyrene,2-chloro-beta-nitrostyrene,styrene, o-chloro-.beta.-nitro,benzene,1-chloro-2-2-nitroethenyl,1-chloro-2-e-2-nitroethenyl benzene |
| IUPAC Name | 1-chloro-2-[(E)-2-nitroethenyl]benzene |
| InChI Key | QHKJTRDWAZGBLR-AATRIKPKSA-N |
| Molecular Formula | C8H6ClNO2 |
4-Methylstyrene, 98%, stab. with 0.1% 3,5-di-tert-butylcatechol
CAS: 622-97-9 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00008621 InChI Key: JLBJTVDPSNHSKJ-UHFFFAOYSA-N Synonym: 4-methylstyrene,1-methyl-4-vinylbenzene,p-methylstyrene,4-vinyltoluene,p-vinyltoluene,benzene, 1-ethenyl-4-methyl,styrene, p-methyl,p-methyl styrene,1-p-tolylethene,para-methylstyrene PubChem CID: 12161 IUPAC Name: 1-ethenyl-4-methylbenzene SMILES: CC1=CC=C(C=C)C=C1
| PubChem CID | 12161 |
|---|---|
| CAS | 622-97-9 |
| Molecular Weight (g/mol) | 118.18 |
| MDL Number | MFCD00008621 |
| SMILES | CC1=CC=C(C=C)C=C1 |
| Synonym | 4-methylstyrene,1-methyl-4-vinylbenzene,p-methylstyrene,4-vinyltoluene,p-vinyltoluene,benzene, 1-ethenyl-4-methyl,styrene, p-methyl,p-methyl styrene,1-p-tolylethene,para-methylstyrene |
| IUPAC Name | 1-ethenyl-4-methylbenzene |
| InChI Key | JLBJTVDPSNHSKJ-UHFFFAOYSA-N |
| Molecular Formula | C9H10 |