Benzene and substituted derivatives
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3-Methylstyrene, 95%
CAS: 100-80-1 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 InChI Key: JZHGRUMIRATHIU-UHFFFAOYSA-N Synonym: 3-methylstyrene,3-vinyltoluene,1-methyl-3-vinylbenzene,m-vinyltoluene,m-methylstyrene,benzene, 1-ethenyl-3-methyl,styrene, m-methyl,m-methyl styrene,meta-methylstyrene,unii-ffk4i9430g PubChem CID: 7529 IUPAC Name: 1-ethenyl-3-methylbenzene SMILES: CC1=CC=CC(=C1)C=C
| PubChem CID | 7529 |
|---|---|
| CAS | 100-80-1 |
| Molecular Weight (g/mol) | 118.18 |
| SMILES | CC1=CC=CC(=C1)C=C |
| Synonym | 3-methylstyrene,3-vinyltoluene,1-methyl-3-vinylbenzene,m-vinyltoluene,m-methylstyrene,benzene, 1-ethenyl-3-methyl,styrene, m-methyl,m-methyl styrene,meta-methylstyrene,unii-ffk4i9430g |
| IUPAC Name | 1-ethenyl-3-methylbenzene |
| InChI Key | JZHGRUMIRATHIU-UHFFFAOYSA-N |
| Molecular Formula | C9H10 |
3,4-Dichlorobenzyl bromide, 97%
CAS: 18880-04-1 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.93 MDL Number: MFCD00041363 InChI Key: XLWSBDFQAJXCQX-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 PubChem CID: 639726 IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene SMILES: C1=CC(=C(C=C1CBr)Cl)Cl
| PubChem CID | 639726 |
|---|---|
| CAS | 18880-04-1 |
| Molecular Weight (g/mol) | 239.93 |
| MDL Number | MFCD00041363 |
| SMILES | C1=CC(=C(C=C1CBr)Cl)Cl |
| Synonym | 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 |
| IUPAC Name | 4-(bromomethyl)-1,2-dichlorobenzene |
| InChI Key | XLWSBDFQAJXCQX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrCl2 |
4-Ethylbenzaldehyde, 98%
CAS: 4748-78-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00006956 InChI Key: QNGNSVIICDLXHT-UHFFFAOYSA-N PubChem CID: 20861 IUPAC Name: 4-ethylbenzaldehyde SMILES: CCC1=CC=C(C=C1)C=O
| PubChem CID | 20861 |
|---|---|
| CAS | 4748-78-1 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00006956 |
| SMILES | CCC1=CC=C(C=C1)C=O |
| IUPAC Name | 4-ethylbenzaldehyde |
| InChI Key | QNGNSVIICDLXHT-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
4-Fluorophenylacetic acid, 98%
CAS: 405-50-5 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004343 InChI Key: MGKPFALCNDRSQD-UHFFFAOYSA-N Synonym: 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid PubChem CID: 9837 IUPAC Name: 2-(4-fluorophenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)F
| PubChem CID | 9837 |
|---|---|
| CAS | 405-50-5 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00004343 |
| SMILES | C1=CC(=CC=C1CC(=O)O)F |
| Synonym | 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid |
| IUPAC Name | 2-(4-fluorophenyl)acetic acid |
| InChI Key | MGKPFALCNDRSQD-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
o-Phenylenediacetonitrile, 99+%
CAS: 613-73-0 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00001905 InChI Key: FWPFXBANOKKNBR-UHFFFAOYSA-N Synonym: 1,2-phenylenediacetonitrile,o-phenylenediacetonitrile,1,2-bis cyanomethyl benzene,o-xylylene dicyanide,2-2-cyanomethyl phenyl acetonitrile,o-benzenediacetonitrile,2,2'-1,2-phenylene diacetonitrile,o-bis cyanomethyl benzene,1,2-benzenediacetonitrile,o-benzendiacetonitrile PubChem CID: 69180 IUPAC Name: 2-[2-(cyanomethyl)phenyl]acetonitrile SMILES: N#CCC1=CC=CC=C1CC#N
| PubChem CID | 69180 |
|---|---|
| CAS | 613-73-0 |
| Molecular Weight (g/mol) | 156.19 |
| MDL Number | MFCD00001905 |
| SMILES | N#CCC1=CC=CC=C1CC#N |
| Synonym | 1,2-phenylenediacetonitrile,o-phenylenediacetonitrile,1,2-bis cyanomethyl benzene,o-xylylene dicyanide,2-2-cyanomethyl phenyl acetonitrile,o-benzenediacetonitrile,2,2'-1,2-phenylene diacetonitrile,o-bis cyanomethyl benzene,1,2-benzenediacetonitrile,o-benzendiacetonitrile |
| IUPAC Name | 2-[2-(cyanomethyl)phenyl]acetonitrile |
| InChI Key | FWPFXBANOKKNBR-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2 |
4-Phenoxybenzoic acid, 98%
CAS: 2215-77-2 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002539 InChI Key: RYAQFHLUEMJOMF-UHFFFAOYSA-N Synonym: p-phenoxybenzoic acid,benzoic acid, 4-phenoxy,diphenyl ether 4-carboxylic acid,4-phenoxy-benzoic acid,4-carboxybiphenyl ether,4-carboxydiphenyl ether,benzoic acid, p-phenoxy,p-carboxydiphenyl ether,4-phenoxy benzoic acid,4-phoc6h4cooh PubChem CID: 75182 ChEBI: CHEBI:72632 IUPAC Name: 4-phenoxybenzoic acid SMILES: OC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
| PubChem CID | 75182 |
|---|---|
| CAS | 2215-77-2 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:72632 |
| MDL Number | MFCD00002539 |
| SMILES | OC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1 |
| Synonym | p-phenoxybenzoic acid,benzoic acid, 4-phenoxy,diphenyl ether 4-carboxylic acid,4-phenoxy-benzoic acid,4-carboxybiphenyl ether,4-carboxydiphenyl ether,benzoic acid, p-phenoxy,p-carboxydiphenyl ether,4-phenoxy benzoic acid,4-phoc6h4cooh |
| IUPAC Name | 4-phenoxybenzoic acid |
| InChI Key | RYAQFHLUEMJOMF-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
o-Anisidine, 98+%
CAS: 90-04-0 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007688 InChI Key: VMPITZXILSNTON-UHFFFAOYSA-N Synonym: o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine PubChem CID: 7000 ChEBI: CHEBI:82288 IUPAC Name: 2-methoxyaniline SMILES: COC1=CC=CC=C1N
| PubChem CID | 7000 |
|---|---|
| CAS | 90-04-0 |
| Molecular Weight (g/mol) | 123.15 |
| ChEBI | CHEBI:82288 |
| MDL Number | MFCD00007688 |
| SMILES | COC1=CC=CC=C1N |
| Synonym | o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine |
| IUPAC Name | 2-methoxyaniline |
| InChI Key | VMPITZXILSNTON-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
mono-Methyl terephthalate, 97%
CAS: 1679-64-7 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002557 InChI Key: REIDAMBAPLIATC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate PubChem CID: 15513 IUPAC Name: 4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 15513 |
|---|---|
| CAS | 1679-64-7 |
| Molecular Weight (g/mol) | 180.16 |
| MDL Number | MFCD00002557 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate |
| IUPAC Name | 4-methoxycarbonylbenzoic acid |
| InChI Key | REIDAMBAPLIATC-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
3-(3,5-Dichlorophenoxy)benzaldehyde, 95%, Thermo Scientific™
CAS: 81028-92-4 Molecular Formula: C13H8Cl2O2 Molecular Weight (g/mol): 267.11 MDL Number: MFCD00003355 InChI Key: BISWHYILBVQCRA-UHFFFAOYSA-N Synonym: 3-3,5-dichlorophenoxy benzaldehyde,3-3,5-dichorophenoxy benzaldehyde,m-3,5-dichlorophenoxy benzaldehyde,3,5-dichloro-3'-formyldiphenyl ether,benzaldehyde,3-3,5-dichlorophenoxy,benzaldehyde, 3-3,5-dichlorophenoxy,pubchem16379,acmc-20anl8,timtec-bb sbb003061,3-3?5-dichlorophenoxy benzaldehyde PubChem CID: 688050 IUPAC Name: 3-(3,5-dichlorophenoxy)benzaldehyde SMILES: ClC1=CC(OC2=CC=CC(C=O)=C2)=CC(Cl)=C1
| PubChem CID | 688050 |
|---|---|
| CAS | 81028-92-4 |
| Molecular Weight (g/mol) | 267.11 |
| MDL Number | MFCD00003355 |
| SMILES | ClC1=CC(OC2=CC=CC(C=O)=C2)=CC(Cl)=C1 |
| Synonym | 3-3,5-dichlorophenoxy benzaldehyde,3-3,5-dichorophenoxy benzaldehyde,m-3,5-dichlorophenoxy benzaldehyde,3,5-dichloro-3'-formyldiphenyl ether,benzaldehyde,3-3,5-dichlorophenoxy,benzaldehyde, 3-3,5-dichlorophenoxy,pubchem16379,acmc-20anl8,timtec-bb sbb003061,3-3?5-dichlorophenoxy benzaldehyde |
| IUPAC Name | 3-(3,5-dichlorophenoxy)benzaldehyde |
| InChI Key | BISWHYILBVQCRA-UHFFFAOYSA-N |
| Molecular Formula | C13H8Cl2O2 |
p-Toluenesulfonyl Chloride 99.0+%, TCI America™
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CAS: 98-59-9 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.64 MDL Number: MFCD00007450 InChI Key: YYROPELSRYBVMQ-UHFFFAOYSA-N Synonym: tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride PubChem CID: 7397 IUPAC Name: 4-methylbenzene-1-sulfonyl chloride SMILES: CC1=CC=C(C=C1)S(Cl)(=O)=O
| PubChem CID | 7397 |
|---|---|
| CAS | 98-59-9 |
| Molecular Weight (g/mol) | 190.64 |
| MDL Number | MFCD00007450 |
| SMILES | CC1=CC=C(C=C1)S(Cl)(=O)=O |
| Synonym | tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride |
| IUPAC Name | 4-methylbenzene-1-sulfonyl chloride |
| InChI Key | YYROPELSRYBVMQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO2S |
Divinylbenzene, 80%, mixture of isomers, stab. with 1000ppm 4-tert-butylcatechol
CAS: 1321-74-0 Molecular Formula: C10H10 Molecular Weight (g/mol): 130.19 MDL Number: MFCD01778656,MFCD00010654 InChI Key: MYRTYDVEIRVNKP-UHFFFAOYSA-N Synonym: divinylbenzene,1,2-divinylbenzene,o-divinylbenzene,benzene, diethenyl,benzene, 1,2-diethenyl,divinylbenzen,divinyl benzen,divinyl-benzene,poly divinylbenzene,divinylbenzene dvb PubChem CID: 66666 IUPAC Name: 1,2-bis(ethenyl)benzene SMILES: C=CC1=CC=CC=C1C=C
| PubChem CID | 66666 |
|---|---|
| CAS | 1321-74-0 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD01778656,MFCD00010654 |
| SMILES | C=CC1=CC=CC=C1C=C |
| Synonym | divinylbenzene,1,2-divinylbenzene,o-divinylbenzene,benzene, diethenyl,benzene, 1,2-diethenyl,divinylbenzen,divinyl benzen,divinyl-benzene,poly divinylbenzene,divinylbenzene dvb |
| IUPAC Name | 1,2-bis(ethenyl)benzene |
| InChI Key | MYRTYDVEIRVNKP-UHFFFAOYSA-N |
| Molecular Formula | C10H10 |
Anisole, 99%, pure
CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1
| PubChem CID | 7519 |
|---|---|
| CAS | 100-66-3 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:16579 |
| SMILES | COC1=CC=CC=C1 |
| Synonym | methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene |
| IUPAC Name | anisole |
| InChI Key | RDOXTESZEPMUJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
1,5-Diphenylcarbazide, ACS
CAS: 140-22-7 Molecular Formula: C13H14N4O Molecular Weight (g/mol): 242.282 MDL Number: MFCD00003013 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
| PubChem CID | 8789 |
|---|---|
| CAS | 140-22-7 |
| Molecular Weight (g/mol) | 242.282 |
| ChEBI | CHEBI:4641 |
| MDL Number | MFCD00003013 |
| SMILES | C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2 |
| Synonym | 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl |
| IUPAC Name | 1,3-dianilinourea |
| InChI Key | KSPIHGBHKVISFI-UHFFFAOYSA-N |
| Molecular Formula | C13H14N4O |
2-Phenoxyethanol, 99%
CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO
| PubChem CID | 31236 |
|---|---|
| CAS | 122-99-6 |
| Molecular Weight (g/mol) | 138.17 |
| ChEBI | CHEBI:64275 |
| MDL Number | MFCD00002857 |
| SMILES | C1=CC=C(C=C1)OCCO |
| Synonym | phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane |
| IUPAC Name | 2-phenoxyethanol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Benzophenone, 99+%, pure
CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 3102 |
|---|---|
| CAS | 119-61-9 |
| Molecular Weight (g/mol) | 182.22 |
| ChEBI | CHEBI:41308 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Synonym | benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone |
| IUPAC Name | diphenylmethanone |
| InChI Key | RWCCWEUUXYIKHB-UHFFFAOYSA-N |
| Molecular Formula | C13H10O |