Benzene and substituted derivatives
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4-Nitrobenzyl chloride, 99%
CAS: 100-14-1 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007374 InChI Key: KGCNHWXDPDPSBV-UHFFFAOYSA-N Synonym: 4-nitrobenzyl chloride,1-chloromethyl-4-nitrobenzene,p-nitrobenzyl chloride,alpha-chloro-4-nitrotoluene,4-nitrobenzylchloride,benzene, 1-chloromethyl-4-nitro,alpha-chloro-p-nitrotoluene,p-chloromethyl nitrobenzene,4-chloromethyl nitrobenzene,unii-3bld9lvt3x PubChem CID: 7482 ChEBI: CHEBI:87406 IUPAC Name: 1-(chloromethyl)-4-nitrobenzene SMILES: C1=CC(=CC=C1CCl)[N+](=O)[O-]
| PubChem CID | 7482 |
|---|---|
| CAS | 100-14-1 |
| Molecular Weight (g/mol) | 171.58 |
| ChEBI | CHEBI:87406 |
| MDL Number | MFCD00007374 |
| SMILES | C1=CC(=CC=C1CCl)[N+](=O)[O-] |
| Synonym | 4-nitrobenzyl chloride,1-chloromethyl-4-nitrobenzene,p-nitrobenzyl chloride,alpha-chloro-4-nitrotoluene,4-nitrobenzylchloride,benzene, 1-chloromethyl-4-nitro,alpha-chloro-p-nitrotoluene,p-chloromethyl nitrobenzene,4-chloromethyl nitrobenzene,unii-3bld9lvt3x |
| IUPAC Name | 1-(chloromethyl)-4-nitrobenzene |
| InChI Key | KGCNHWXDPDPSBV-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
1-Bromo-3,5-dichlorobenzene, 98%, Thermo Scientific Chemicals
CAS: 19752-55-7 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.9 MDL Number: MFCD00000584 InChI Key: DZHFFMWJXJBBRG-UHFFFAOYSA-N Synonym: 3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a PubChem CID: 29766 IUPAC Name: 1-bromo-3,5-dichlorobenzene SMILES: C1=C(C=C(C=C1Cl)Br)Cl
| PubChem CID | 29766 |
|---|---|
| CAS | 19752-55-7 |
| Molecular Weight (g/mol) | 225.9 |
| MDL Number | MFCD00000584 |
| SMILES | C1=C(C=C(C=C1Cl)Br)Cl |
| Synonym | 3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a |
| IUPAC Name | 1-bromo-3,5-dichlorobenzene |
| InChI Key | DZHFFMWJXJBBRG-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrCl2 |
2-Bromo-5-methylbenzotrifluoride, 98%, Thermo Scientific Chemicals
CAS: 261952-20-9 Molecular Formula: C8H6BrF3 Molecular Weight (g/mol): 239.035 MDL Number: MFCD01631586 InChI Key: WXXDBPIOFOYRLP-UHFFFAOYSA-N Synonym: 2-bromo-5-methylbenzotrifluoride,1-bromo-4-methyl-2-trifluoromethyl benzene,4-bromo-3-trifluoromethyl toluene,4-bromo-alpha,alpha,alpha-trifluoro-m-xylene,4-methyl-2-trifluoromethyl bromobenzene,pubchem23748,4-bromo-3-trifluoromethyltoluene,1-bromo-4-methyl-2-trifluoromethyl-benzene,1-bromanyl-4-methyl-2-trifluoromethyl benzene,benzene,1-bromo-4-methyl-2-trifluoromethyl PubChem CID: 2779339 IUPAC Name: 1-bromo-4-methyl-2-(trifluoromethyl)benzene SMILES: CC1=CC(=C(C=C1)Br)C(F)(F)F
| PubChem CID | 2779339 |
|---|---|
| CAS | 261952-20-9 |
| Molecular Weight (g/mol) | 239.035 |
| MDL Number | MFCD01631586 |
| SMILES | CC1=CC(=C(C=C1)Br)C(F)(F)F |
| Synonym | 2-bromo-5-methylbenzotrifluoride,1-bromo-4-methyl-2-trifluoromethyl benzene,4-bromo-3-trifluoromethyl toluene,4-bromo-alpha,alpha,alpha-trifluoro-m-xylene,4-methyl-2-trifluoromethyl bromobenzene,pubchem23748,4-bromo-3-trifluoromethyltoluene,1-bromo-4-methyl-2-trifluoromethyl-benzene,1-bromanyl-4-methyl-2-trifluoromethyl benzene,benzene,1-bromo-4-methyl-2-trifluoromethyl |
| IUPAC Name | 1-bromo-4-methyl-2-(trifluoromethyl)benzene |
| InChI Key | WXXDBPIOFOYRLP-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrF3 |
Doxylamine Succinate, USP, 98-101%, Spectrum™ Chemical
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CAS: 562-10-7 Molecular Formula: C21H28N2O5 Molecular Weight (g/mol): 388.46 MDL Number: MFCD00056168 InChI Key: KBAUFVUYFNWQFM-UHFFFAOYNA-N IUPAC Name: butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine SMILES: OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1
| CAS | 562-10-7 |
|---|---|
| Molecular Weight (g/mol) | 388.46 |
| MDL Number | MFCD00056168 |
| SMILES | OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1 |
| IUPAC Name | butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine |
| InChI Key | KBAUFVUYFNWQFM-UHFFFAOYNA-N |
| Molecular Formula | C21H28N2O5 |
m-Anisidine, 98%
CAS: 536-90-3 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00007783 InChI Key: NCBZRJODKRCREW-UHFFFAOYSA-N Synonym: m-anisidine,3-aminoanisole,m-methoxyaniline,3-methoxybenzenamine,3-anisidine,m-aminoanisole,benzenamine, 3-methoxy,m-anisylamine,1-amino-3-methoxybenzene,unii-jxa144kx2i PubChem CID: 10824 IUPAC Name: 3-methoxyaniline SMILES: COC1=CC=CC(=C1)N
| PubChem CID | 10824 |
|---|---|
| CAS | 536-90-3 |
| Molecular Weight (g/mol) | 123.155 |
| MDL Number | MFCD00007783 |
| SMILES | COC1=CC=CC(=C1)N |
| Synonym | m-anisidine,3-aminoanisole,m-methoxyaniline,3-methoxybenzenamine,3-anisidine,m-aminoanisole,benzenamine, 3-methoxy,m-anisylamine,1-amino-3-methoxybenzene,unii-jxa144kx2i |
| IUPAC Name | 3-methoxyaniline |
| InChI Key | NCBZRJODKRCREW-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
3,5-Bis(trifluoromethyl)benzoic acid, 98%
CAS: 725-89-3 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.12 MDL Number: MFCD00000388 InChI Key: HVFQJWGYVXKLTE-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725 PubChem CID: 12889 IUPAC Name: 3,5-bis(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 12889 |
|---|---|
| CAS | 725-89-3 |
| Molecular Weight (g/mol) | 258.12 |
| MDL Number | MFCD00000388 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725 |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzoic acid |
| InChI Key | HVFQJWGYVXKLTE-UHFFFAOYSA-N |
| Molecular Formula | C9H4F6O2 |
3-Methoxybenzyl alcohol, 98%
CAS: 6971-51-3 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004637 InChI Key: IIGNZLVHOZEOPV-UHFFFAOYSA-N Synonym: 3-methoxybenzyl alcohol,3-methoxyphenyl methanol,m-methoxybenzyl alcohol,3-methoxybenzylalcohol,m-anisyl alcohol,3-anise alcohol,3-anisyl alcohol,benzenemethanol, 3-methoxy,unii-i1xc3698n5,3-methoxyphenyl methan-1-ol PubChem CID: 81437 ChEBI: CHEBI:1580 IUPAC Name: (3-methoxyphenyl)methanol SMILES: COC1=CC=CC(=C1)CO
| PubChem CID | 81437 |
|---|---|
| CAS | 6971-51-3 |
| Molecular Weight (g/mol) | 138.17 |
| ChEBI | CHEBI:1580 |
| MDL Number | MFCD00004637 |
| SMILES | COC1=CC=CC(=C1)CO |
| Synonym | 3-methoxybenzyl alcohol,3-methoxyphenyl methanol,m-methoxybenzyl alcohol,3-methoxybenzylalcohol,m-anisyl alcohol,3-anise alcohol,3-anisyl alcohol,benzenemethanol, 3-methoxy,unii-i1xc3698n5,3-methoxyphenyl methan-1-ol |
| IUPAC Name | (3-methoxyphenyl)methanol |
| InChI Key | IIGNZLVHOZEOPV-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Pentafluorobenzoyl chloride, 98%
CAS: 2251-50-5 Molecular Formula: C7ClF5O Molecular Weight (g/mol): 230.52 MDL Number: MFCD00000657 InChI Key: MYHOHFDYWMPGJY-UHFFFAOYSA-N Synonym: pentafluorobenzoyl chloride,perfluorobenzoyl chloride,benzoyl chloride, pentafluoro,pentafluorobenzoylchloride,pubchem15522,acmc-1covi,intermediates-zcf02601,pentafluorobenzoic acid chloride,attercop-chm at133861,67924-15-6 unspecified acetate PubChem CID: 75256 ChEBI: CHEBI:39425 SMILES: FC1=C(F)C(F)=C(C(Cl)=O)C(F)=C1F
| PubChem CID | 75256 |
|---|---|
| CAS | 2251-50-5 |
| Molecular Weight (g/mol) | 230.52 |
| ChEBI | CHEBI:39425 |
| MDL Number | MFCD00000657 |
| SMILES | FC1=C(F)C(F)=C(C(Cl)=O)C(F)=C1F |
| Synonym | pentafluorobenzoyl chloride,perfluorobenzoyl chloride,benzoyl chloride, pentafluoro,pentafluorobenzoylchloride,pubchem15522,acmc-1covi,intermediates-zcf02601,pentafluorobenzoic acid chloride,attercop-chm at133861,67924-15-6 unspecified acetate |
| InChI Key | MYHOHFDYWMPGJY-UHFFFAOYSA-N |
| Molecular Formula | C7ClF5O |
2,4,6-Triisopropylbenzenesulfonyl chloride, 97%
CAS: 6553-96-4 Molecular Formula: C15H23ClO2S Molecular Weight (g/mol): 302.85 MDL Number: MFCD00007433 InChI Key: JAPYIBBSTJFDAK-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzenesulfonyl chloride,2,4,6-triisopropylbenzene-1-sulfonyl chloride,trisyl chloride,2,4,6-triisopropylbenzenesulphonyl chloride,benzenesulfonyl chloride, 2,4,6-tris 1-methylethyl,2,4,6-triisopropylbenzenesulfonylchloride,2,4,6-triisopropyl-benzenesulfonyl chloride,tpscl 2,4,6-triisopropyl benzenesulfonyl chloride,2,4,6-triisopropylphenylsulfonyl chloride,2,4,6-triisopropyl benzenesulfonyl chloride PubChem CID: 81042 IUPAC Name: 2,4,6-tri(propan-2-yl)benzenesulfonyl chloride SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)Cl)C(C)C
| PubChem CID | 81042 |
|---|---|
| CAS | 6553-96-4 |
| Molecular Weight (g/mol) | 302.85 |
| MDL Number | MFCD00007433 |
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)Cl)C(C)C |
| Synonym | 2,4,6-triisopropylbenzenesulfonyl chloride,2,4,6-triisopropylbenzene-1-sulfonyl chloride,trisyl chloride,2,4,6-triisopropylbenzenesulphonyl chloride,benzenesulfonyl chloride, 2,4,6-tris 1-methylethyl,2,4,6-triisopropylbenzenesulfonylchloride,2,4,6-triisopropyl-benzenesulfonyl chloride,tpscl 2,4,6-triisopropyl benzenesulfonyl chloride,2,4,6-triisopropylphenylsulfonyl chloride,2,4,6-triisopropyl benzenesulfonyl chloride |
| IUPAC Name | 2,4,6-tri(propan-2-yl)benzenesulfonyl chloride |
| InChI Key | JAPYIBBSTJFDAK-UHFFFAOYSA-N |
| Molecular Formula | C15H23ClO2S |
m-Toluidine, 99%
CAS: 108-44-1 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00007808 InChI Key: JJYPMNFTHPTTDI-UHFFFAOYSA-N Synonym: m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine PubChem CID: 7934 IUPAC Name: 3-methylaniline SMILES: CC1=CC=CC(N)=C1
| PubChem CID | 7934 |
|---|---|
| CAS | 108-44-1 |
| Molecular Weight (g/mol) | 107.16 |
| MDL Number | MFCD00007808 |
| SMILES | CC1=CC=CC(N)=C1 |
| Synonym | m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine |
| IUPAC Name | 3-methylaniline |
| InChI Key | JJYPMNFTHPTTDI-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
1,2,3-Trimethoxybenzene, 98%
CAS: 634-36-6 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00008358 InChI Key: CRUILBNAQILVHZ-UHFFFAOYSA-N Synonym: methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene PubChem CID: 12462 ChEBI: CHEBI:86529 IUPAC Name: 1,2,3-trimethoxybenzene SMILES: COC1=C(C(=CC=C1)OC)OC
| PubChem CID | 12462 |
|---|---|
| CAS | 634-36-6 |
| Molecular Weight (g/mol) | 168.19 |
| ChEBI | CHEBI:86529 |
| MDL Number | MFCD00008358 |
| SMILES | COC1=C(C(=CC=C1)OC)OC |
| Synonym | methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene |
| IUPAC Name | 1,2,3-trimethoxybenzene |
| InChI Key | CRUILBNAQILVHZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
2,6-Dichlorobenzoyl chloride, 98%
CAS: 4659-45-4 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.46 MDL Number: MFCD00000662 InChI Key: JBLIDPPHFGWTKU-UHFFFAOYSA-N Synonym: benzoyl chloride, 2,6-dichloro,2,6-dichlorobenzoylchloride,unii-394f6s81wy,2,6-dichloro-benzoyl chloride,ccris 8617,pubchem18674,acmc-209k7i,2.6-dichlorobenzoylchloride,dsstox_cid_12891,dsstox_rid_79043 PubChem CID: 78392 IUPAC Name: 2,6-dichlorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl
| PubChem CID | 78392 |
|---|---|
| CAS | 4659-45-4 |
| Molecular Weight (g/mol) | 209.46 |
| MDL Number | MFCD00000662 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl |
| Synonym | benzoyl chloride, 2,6-dichloro,2,6-dichlorobenzoylchloride,unii-394f6s81wy,2,6-dichloro-benzoyl chloride,ccris 8617,pubchem18674,acmc-209k7i,2.6-dichlorobenzoylchloride,dsstox_cid_12891,dsstox_rid_79043 |
| IUPAC Name | 2,6-dichlorobenzoyl chloride |
| InChI Key | JBLIDPPHFGWTKU-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
2-Methoxyphenylacetic acid, 99%
CAS: 93-25-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004321 InChI Key: IVEWTCACRDEAOB-UHFFFAOYSA-N Synonym: 2-methoxyphenylacetic acid,benzeneacetic acid, 2-methoxy,2-2-methoxyphenyl acetic acid,2-methoxyphenylaceticacid,o-methoxyphenyl acetic acid,acetic acid, o-methoxyphenyl,2-methoxyphenyl acetic acid,o-methoxyphenylacetic acid,acmc-209rku,2-carboxymethyl anisole PubChem CID: 7134 IUPAC Name: 2-(2-methoxyphenyl)acetic acid SMILES: COC1=CC=CC=C1CC(O)=O
| PubChem CID | 7134 |
|---|---|
| CAS | 93-25-4 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00004321 |
| SMILES | COC1=CC=CC=C1CC(O)=O |
| Synonym | 2-methoxyphenylacetic acid,benzeneacetic acid, 2-methoxy,2-2-methoxyphenyl acetic acid,2-methoxyphenylaceticacid,o-methoxyphenyl acetic acid,acetic acid, o-methoxyphenyl,2-methoxyphenyl acetic acid,o-methoxyphenylacetic acid,acmc-209rku,2-carboxymethyl anisole |
| IUPAC Name | 2-(2-methoxyphenyl)acetic acid |
| InChI Key | IVEWTCACRDEAOB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
3,4-Dimethoxybenzyl alcohol, 96%
CAS: 93-03-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 InChI Key: OEGPRYNGFWGMMV-UHFFFAOYSA-N Synonym: 3,4-dimethoxybenzyl alcohol,veratryl alcohol,3,4-dimethoxyphenyl methanol,benzenemethanol, 3,4-dimethoxy,3,4-dimethoxyphenylmethyl alcohol,veratrole alcohol,3,4-dimethoxybenzenemethanol,unii-mb4t4a711h,3,4-dimethoxyphenyl-methanol PubChem CID: 7118 ChEBI: CHEBI:62150 IUPAC Name: (3,4-dimethoxyphenyl)methanol SMILES: COC1=C(C=C(C=C1)CO)OC
| PubChem CID | 7118 |
|---|---|
| CAS | 93-03-8 |
| Molecular Weight (g/mol) | 168.19 |
| ChEBI | CHEBI:62150 |
| SMILES | COC1=C(C=C(C=C1)CO)OC |
| Synonym | 3,4-dimethoxybenzyl alcohol,veratryl alcohol,3,4-dimethoxyphenyl methanol,benzenemethanol, 3,4-dimethoxy,3,4-dimethoxyphenylmethyl alcohol,veratrole alcohol,3,4-dimethoxybenzenemethanol,unii-mb4t4a711h,3,4-dimethoxyphenyl-methanol |
| IUPAC Name | (3,4-dimethoxyphenyl)methanol |
| InChI Key | OEGPRYNGFWGMMV-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
3,4,5-Trimethoxybenzaldehyde, 99%
CAS: 86-81-7 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.2 MDL Number: MFCD00003364 InChI Key: OPHQOIGEOHXOGX-UHFFFAOYSA-N PubChem CID: 6858 IUPAC Name: 3,4,5-trimethoxybenzaldehyde SMILES: COC1=CC(=CC(=C1OC)OC)C=O
| PubChem CID | 6858 |
|---|---|
| CAS | 86-81-7 |
| Molecular Weight (g/mol) | 196.2 |
| MDL Number | MFCD00003364 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=O |
| IUPAC Name | 3,4,5-trimethoxybenzaldehyde |
| InChI Key | OPHQOIGEOHXOGX-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |