Benzene and substituted derivatives
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6-Methoxy-8-nitroquinoline, 99%, Thermo Scientific™
CAS: 85-81-4 Molecular Formula: C10H8N2O3 Molecular Weight (g/mol): 204.18 MDL Number: MFCD00006802 InChI Key: MIMUSZHMZBJBPO-UHFFFAOYSA-N Synonym: quinoline, 6-methoxy-8-nitro,6-methoxy-8-nitro-quinoline,8-nitro-6-methoxyquinoline,methyl 8-nitro-6-quinolyl ether,unii-ats412o1xo,ats412o1xo,pubchem9433,acmc-209q7l,5-21-03-00248 beilstein handbook reference,ksc655o7n PubChem CID: 6822 IUPAC Name: 6-methoxy-8-nitroquinoline SMILES: COC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-]
| PubChem CID | 6822 |
|---|---|
| CAS | 85-81-4 |
| Molecular Weight (g/mol) | 204.18 |
| MDL Number | MFCD00006802 |
| SMILES | COC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-] |
| Synonym | quinoline, 6-methoxy-8-nitro,6-methoxy-8-nitro-quinoline,8-nitro-6-methoxyquinoline,methyl 8-nitro-6-quinolyl ether,unii-ats412o1xo,ats412o1xo,pubchem9433,acmc-209q7l,5-21-03-00248 beilstein handbook reference,ksc655o7n |
| IUPAC Name | 6-methoxy-8-nitroquinoline |
| InChI Key | MIMUSZHMZBJBPO-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O3 |
3-Fluoro-5-(pentafluorothio)aniline, 97%
CAS: 1240256-99-8 Molecular Formula: C6H5F6NS Molecular Weight (g/mol): 237.163 MDL Number: MFCD16652430 InChI Key: RFXWDLYDFAZNLO-UHFFFAOYSA-N Synonym: 3-fluoro-5-pentafluorosulfur aniline,3-fluoro-5-pentafluoro-??-sulfanyl aniline,3-fluoro-5-pentafluorothio aniline PubChem CID: 66523473 IUPAC Name: 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)aniline SMILES: C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)N
| PubChem CID | 66523473 |
|---|---|
| CAS | 1240256-99-8 |
| Molecular Weight (g/mol) | 237.163 |
| MDL Number | MFCD16652430 |
| SMILES | C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)N |
| Synonym | 3-fluoro-5-pentafluorosulfur aniline,3-fluoro-5-pentafluoro-??-sulfanyl aniline,3-fluoro-5-pentafluorothio aniline |
| IUPAC Name | 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)aniline |
| InChI Key | RFXWDLYDFAZNLO-UHFFFAOYSA-N |
| Molecular Formula | C6H5F6NS |
n-Butyl 4-aminobenzoate, 99%
CAS: 94-25-7 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD00017112 InChI Key: IUWVALYLNVXWKX-UHFFFAOYSA-N Synonym: butamben,butesin,butylcaine,butyl aminobenzoate,butesine,butoform,planoform,scuroform,scuroforme,butyl keloform PubChem CID: 2482 ChEBI: CHEBI:3231 IUPAC Name: butyl 4-aminobenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)N
| PubChem CID | 2482 |
|---|---|
| CAS | 94-25-7 |
| Molecular Weight (g/mol) | 193.246 |
| ChEBI | CHEBI:3231 |
| MDL Number | MFCD00017112 |
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N |
| Synonym | butamben,butesin,butylcaine,butyl aminobenzoate,butesine,butoform,planoform,scuroform,scuroforme,butyl keloform |
| IUPAC Name | butyl 4-aminobenzoate |
| InChI Key | IUWVALYLNVXWKX-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO2 |
3-Bromobenzaldehyde 98.0+%, TCI America™
CAS: 3132-99-8 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003345 InChI Key: SUISZCALMBHJQX-UHFFFAOYSA-N Synonym: m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde PubChem CID: 76583 IUPAC Name: 3-bromobenzaldehyde SMILES: C1=CC(=CC(=C1)Br)C=O
| PubChem CID | 76583 |
|---|---|
| CAS | 3132-99-8 |
| Molecular Weight (g/mol) | 185.02 |
| MDL Number | MFCD00003345 |
| SMILES | C1=CC(=CC(=C1)Br)C=O |
| Synonym | m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde |
| IUPAC Name | 3-bromobenzaldehyde |
| InChI Key | SUISZCALMBHJQX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO |
4-sec-Butylphenol 98.0+%, TCI America™
CAS: 99-71-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002375 InChI Key: ZUTYZAFDFLLILI-UHFFFAOYSA-N PubChem CID: 7453 ChEBI: CHEBI:34442 IUPAC Name: 4-butan-2-ylphenol SMILES: CCC(C)C1=CC=C(C=C1)O
| PubChem CID | 7453 |
|---|---|
| CAS | 99-71-8 |
| Molecular Weight (g/mol) | 150.221 |
| ChEBI | CHEBI:34442 |
| MDL Number | MFCD00002375 |
| SMILES | CCC(C)C1=CC=C(C=C1)O |
| IUPAC Name | 4-butan-2-ylphenol |
| InChI Key | ZUTYZAFDFLLILI-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
3-Aminobenzoic Acid 99.0+%, TCI America™
CAS: 99-05-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007795 InChI Key: XFDUHJPVQKIXHO-UHFFFAOYSA-N Synonym: m-aminobenzoic acid,m-carboxyaniline,benzoic acid, 3-amino,3-carboxyaniline,maba,benzoic acid, m-amino,aniline-3-carboxylic acid,meta-aminobenzoic acid,m-aminobenzoesaeure,unii-g2x3b3o37u PubChem CID: 7419 ChEBI: CHEBI:42682 IUPAC Name: 3-aminobenzoic acid SMILES: C1=CC(=CC(=C1)N)C(=O)O
| PubChem CID | 7419 |
|---|---|
| CAS | 99-05-8 |
| Molecular Weight (g/mol) | 137.138 |
| ChEBI | CHEBI:42682 |
| MDL Number | MFCD00007795 |
| SMILES | C1=CC(=CC(=C1)N)C(=O)O |
| Synonym | m-aminobenzoic acid,m-carboxyaniline,benzoic acid, 3-amino,3-carboxyaniline,maba,benzoic acid, m-amino,aniline-3-carboxylic acid,meta-aminobenzoic acid,m-aminobenzoesaeure,unii-g2x3b3o37u |
| IUPAC Name | 3-aminobenzoic acid |
| InChI Key | XFDUHJPVQKIXHO-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Methylparaben, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 61-68-7 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 InChI Key: HYYBABOKPJLUIN-UHFFFAOYSA-N IUPAC Name: 2-[(2,3-dimethylphenyl)amino]benzoic acid SMILES: CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C
| CAS | 61-68-7 |
|---|---|
| Molecular Weight (g/mol) | 241.29 |
| SMILES | CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C |
| IUPAC Name | 2-[(2,3-dimethylphenyl)amino]benzoic acid |
| InChI Key | HYYBABOKPJLUIN-UHFFFAOYSA-N |
| Molecular Formula | C15H15NO2 |
4-Bromo-2-fluorotoluene 97.0+%, TCI America™
CAS: 51436-99-8 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00013551 InChI Key: YZFVUQSAJMLFOZ-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene PubChem CID: 171040 IUPAC Name: 4-bromo-2-fluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)Br)F
| PubChem CID | 171040 |
|---|---|
| CAS | 51436-99-8 |
| Molecular Weight (g/mol) | 189.027 |
| MDL Number | MFCD00013551 |
| SMILES | CC1=C(C=C(C=C1)Br)F |
| Synonym | 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene |
| IUPAC Name | 4-bromo-2-fluoro-1-methylbenzene |
| InChI Key | YZFVUQSAJMLFOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |
3,4,5-Trimethoxybenzylamine 97.0+%, TCI America™
CAS: 18638-99-8 Molecular Formula: C10H15NO3 Molecular Weight (g/mol): 197.234 MDL Number: MFCD00017150 InChI Key: YUPUSBMJCFBHAP-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzylamine,3,4,5-trimethoxyphenyl methanamine,1-3,4,5-trimethoxyphenyl methanamine,benzenemethanamine, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methylamine,1-3,4,5-trimethoxyphenyl methanamine hydrochloride,pubchem16674,acmc-1c5ez,ksc495e6b,3,4,5-trimethoxy benzylamine PubChem CID: 87736 IUPAC Name: (3,4,5-trimethoxyphenyl)methanamine SMILES: COC1=CC(=CC(=C1OC)OC)CN
| PubChem CID | 87736 |
|---|---|
| CAS | 18638-99-8 |
| Molecular Weight (g/mol) | 197.234 |
| MDL Number | MFCD00017150 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CN |
| Synonym | 3,4,5-trimethoxybenzylamine,3,4,5-trimethoxyphenyl methanamine,1-3,4,5-trimethoxyphenyl methanamine,benzenemethanamine, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methylamine,1-3,4,5-trimethoxyphenyl methanamine hydrochloride,pubchem16674,acmc-1c5ez,ksc495e6b,3,4,5-trimethoxy benzylamine |
| IUPAC Name | (3,4,5-trimethoxyphenyl)methanamine |
| InChI Key | YUPUSBMJCFBHAP-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO3 |
2,4,6-Tribromoanisole 98.0+%, TCI America™
CAS: 607-99-8 Molecular Formula: C7H5Br3O Molecular Weight (g/mol): 344.83 MDL Number: MFCD00192510 InChI Key: YXTRCOAFNXQTKL-UHFFFAOYSA-N Synonym: 2,4,6-tribromoanisole,anisole, 2,4,6-tribromo,benzene, 1,3,5-tribromo-2-methoxy,unii-do7m3m4lx5,1,3,5-tribromo-2-methoxy-benzene,methyl 2,4,6-tribromophenyl ether,do7m3m4lx5,2,6-tribromoanisole,anisole,4,6-tribromo,acmc-209mm5 PubChem CID: 11839 IUPAC Name: 1,3,5-tribromo-2-methoxybenzene SMILES: COC1=C(Br)C=C(Br)C=C1Br
| PubChem CID | 11839 |
|---|---|
| CAS | 607-99-8 |
| Molecular Weight (g/mol) | 344.83 |
| MDL Number | MFCD00192510 |
| SMILES | COC1=C(Br)C=C(Br)C=C1Br |
| Synonym | 2,4,6-tribromoanisole,anisole, 2,4,6-tribromo,benzene, 1,3,5-tribromo-2-methoxy,unii-do7m3m4lx5,1,3,5-tribromo-2-methoxy-benzene,methyl 2,4,6-tribromophenyl ether,do7m3m4lx5,2,6-tribromoanisole,anisole,4,6-tribromo,acmc-209mm5 |
| IUPAC Name | 1,3,5-tribromo-2-methoxybenzene |
| InChI Key | YXTRCOAFNXQTKL-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br3O |
Aspirin, USP, 99.5-100.5%, Spectrum™ Chemical
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CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N IUPAC Name: 2-(acetyloxy)benzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O
| CAS | 50-78-2 |
|---|---|
| Molecular Weight (g/mol) | 180.16 |
| MDL Number | MFCD00002430 |
| SMILES | CC(=O)OC1=CC=CC=C1C(O)=O |
| IUPAC Name | 2-(acetyloxy)benzoic acid |
| InChI Key | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
3,5-Dichlorophenylhydrazine Hydrochloride 90.0+%, TCI America™
CAS: 63352-99-8 Molecular Formula: C6H7Cl3N2 Molecular Weight (g/mol): 213.486 MDL Number: MFCD00012938 InChI Key: BDXZOJVMTJOAPS-UHFFFAOYSA-N Synonym: 3,5-dichlorophenylhydrazine hydrochloride,3,5-dichlorophenyl hydrazine hydrochloride,3,5-dichlorophenyl hydrazine monohydrochloride,3,5-dichlorophenylhydrazine hcl,1-3,5-dichlorophenyl hydrazine hydrochloride,hydrazine, 3,5-dichlorophenyl-, monohydrochloride,3,5-dichlorophenylhydrazinehydrochloride,pubchem7531,c6h6cl2n2.hcl,acmc-209nf3 PubChem CID: 2723913 IUPAC Name: (3,5-dichlorophenyl)hydrazine;hydrochloride SMILES: C1=C(C=C(C=C1Cl)Cl)NN.Cl
| PubChem CID | 2723913 |
|---|---|
| CAS | 63352-99-8 |
| Molecular Weight (g/mol) | 213.486 |
| MDL Number | MFCD00012938 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)NN.Cl |
| Synonym | 3,5-dichlorophenylhydrazine hydrochloride,3,5-dichlorophenyl hydrazine hydrochloride,3,5-dichlorophenyl hydrazine monohydrochloride,3,5-dichlorophenylhydrazine hcl,1-3,5-dichlorophenyl hydrazine hydrochloride,hydrazine, 3,5-dichlorophenyl-, monohydrochloride,3,5-dichlorophenylhydrazinehydrochloride,pubchem7531,c6h6cl2n2.hcl,acmc-209nf3 |
| IUPAC Name | (3,5-dichlorophenyl)hydrazine;hydrochloride |
| InChI Key | BDXZOJVMTJOAPS-UHFFFAOYSA-N |
| Molecular Formula | C6H7Cl3N2 |
Benzylamine Hydrochloride 98.0+%, TCI America™
CAS: 3287-99-8 Molecular Formula: C7H10ClN Molecular Weight (g/mol): 143.614 MDL Number: MFCD00012852 InChI Key: XKXHCNPAFAXVRZ-UHFFFAOYSA-N Synonym: benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt PubChem CID: 2724127 IUPAC Name: phenylmethanamine;hydrochloride SMILES: C1=CC=C(C=C1)CN.Cl
| PubChem CID | 2724127 |
|---|---|
| CAS | 3287-99-8 |
| Molecular Weight (g/mol) | 143.614 |
| MDL Number | MFCD00012852 |
| SMILES | C1=CC=C(C=C1)CN.Cl |
| Synonym | benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt |
| IUPAC Name | phenylmethanamine;hydrochloride |
| InChI Key | XKXHCNPAFAXVRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H10ClN |
4-Isopropylphenol 99.0+%, TCI America™
CAS: 99-89-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002372 InChI Key: YQUQWHNMBPIWGK-UHFFFAOYSA-N Synonym: 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol PubChem CID: 7465 IUPAC Name: 4-propan-2-ylphenol SMILES: CC(C)C1=CC=C(C=C1)O
| PubChem CID | 7465 |
|---|---|
| CAS | 99-89-8 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00002372 |
| SMILES | CC(C)C1=CC=C(C=C1)O |
| Synonym | 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol |
| IUPAC Name | 4-propan-2-ylphenol |
| InChI Key | YQUQWHNMBPIWGK-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
4-Bromo-2-fluorotoluene, 99%
CAS: 51436-99-8 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00013551 InChI Key: YZFVUQSAJMLFOZ-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene PubChem CID: 171040 IUPAC Name: 4-bromo-2-fluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)Br)F
| PubChem CID | 171040 |
|---|---|
| CAS | 51436-99-8 |
| Molecular Weight (g/mol) | 189.027 |
| MDL Number | MFCD00013551 |
| SMILES | CC1=C(C=C(C=C1)Br)F |
| Synonym | 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene |
| IUPAC Name | 4-bromo-2-fluoro-1-methylbenzene |
| InChI Key | YZFVUQSAJMLFOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |