Benzene and substituted derivatives
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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 |
3-Chlorophenylhydrazine hydrochloride, 97%
CAS: 2312-23-4 Molecular Formula: C6H7ClN2·HCl Molecular Weight (g/mol): 179.05 MDL Number: MFCD00012935 InChI Key: CRRIAWUJYMLJOE-UHFFFAOYSA-N Synonym: 3-chlorophenylhydrazine hydrochloride,3-chlorophenyl hydrazine hydrochloride,3-chloro phenyl hydrazine hydrochloride,m-chlorophenylhydrazine hydrochloride,hydrazine, 3-chlorophenyl-, monohydrochloride,1-3-chlorophenyl hydrazine hydrochloride,m-chlorophenylhydrazine hcl,3-chlorophenyl hydrazine hydrochloride 1:1,3-chlorophenyl hydrazinehydrochloride PubChem CID: 75331 IUPAC Name: (3-chlorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC(=C1)Cl)NN.Cl
| PubChem CID | 75331 |
|---|---|
| CAS | 2312-23-4 |
| Molecular Weight (g/mol) | 179.05 |
| MDL Number | MFCD00012935 |
| SMILES | C1=CC(=CC(=C1)Cl)NN.Cl |
| Synonym | 3-chlorophenylhydrazine hydrochloride,3-chlorophenyl hydrazine hydrochloride,3-chloro phenyl hydrazine hydrochloride,m-chlorophenylhydrazine hydrochloride,hydrazine, 3-chlorophenyl-, monohydrochloride,1-3-chlorophenyl hydrazine hydrochloride,m-chlorophenylhydrazine hcl,3-chlorophenyl hydrazine hydrochloride 1:1,3-chlorophenyl hydrazinehydrochloride |
| IUPAC Name | (3-chlorophenyl)hydrazine;hydrochloride |
| InChI Key | CRRIAWUJYMLJOE-UHFFFAOYSA-N |
| Molecular Formula | C6H7ClN2·HCl |
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 |
4-Bromobenzyl alcohol, 99%
CAS: 873-75-6 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00004650 InChI Key: VEDDBHYQWFOITD-UHFFFAOYSA-N Synonym: 4-bromobenzyl alcohol,4-bromophenyl methanol,p-bromobenzyl alcohol,benzenemethanol, 4-bromo,para-bromobenzyl alcohol,4-bromobenzylalcohol,p-bromo-benzyl alcohol,ccris 5119,4-bromophenyl-methanol,benzyl alcohol, p-bromo PubChem CID: 70119 IUPAC Name: (4-bromophenyl)methanol SMILES: C1=CC(=CC=C1CO)Br
| PubChem CID | 70119 |
|---|---|
| CAS | 873-75-6 |
| Molecular Weight (g/mol) | 187.04 |
| MDL Number | MFCD00004650 |
| SMILES | C1=CC(=CC=C1CO)Br |
| Synonym | 4-bromobenzyl alcohol,4-bromophenyl methanol,p-bromobenzyl alcohol,benzenemethanol, 4-bromo,para-bromobenzyl alcohol,4-bromobenzylalcohol,p-bromo-benzyl alcohol,ccris 5119,4-bromophenyl-methanol,benzyl alcohol, p-bromo |
| IUPAC Name | (4-bromophenyl)methanol |
| InChI Key | VEDDBHYQWFOITD-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO |
Methyl 4-hydroxybenzoate, sodium salt, 99%, Thermo Scientific Chemicals
CAS: 5026-62-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.13 MDL Number: MFCD00016470 InChI Key: PESXGULMKCKJCC-UHFFFAOYSA-M Synonym: methylparaben sodium,sodium methylparaben,sodium 4-methoxycarbonyl phenolate,preserval ms,methyl 4-hydroxybenzoate, sodium salt,solparol,bonomold omna,methyl 4-hydroxybenzoate sodium salt,sodium 4-carbomethoxyphenolate,unii-cr6k9c2nhk PubChem CID: 23663626 IUPAC Name: sodium;4-methoxycarbonylphenolate SMILES: COC(=O)C1=CC=C(C=C1)[O-].[Na+]
| PubChem CID | 23663626 |
|---|---|
| CAS | 5026-62-0 |
| Molecular Weight (g/mol) | 174.13 |
| MDL Number | MFCD00016470 |
| SMILES | COC(=O)C1=CC=C(C=C1)[O-].[Na+] |
| Synonym | methylparaben sodium,sodium methylparaben,sodium 4-methoxycarbonyl phenolate,preserval ms,methyl 4-hydroxybenzoate, sodium salt,solparol,bonomold omna,methyl 4-hydroxybenzoate sodium salt,sodium 4-carbomethoxyphenolate,unii-cr6k9c2nhk |
| IUPAC Name | sodium;4-methoxycarbonylphenolate |
| InChI Key | PESXGULMKCKJCC-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO3 |
3-Bromo-4-fluorobenzaldehyde, 99%
CAS: 77771-02-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00042186 InChI Key: FAHZIKXYYRGSHF-UHFFFAOYSA-N Synonym: 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde PubChem CID: 173604 IUPAC Name: 3-bromo-4-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Br)F
| PubChem CID | 173604 |
|---|---|
| CAS | 77771-02-9 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00042186 |
| SMILES | C1=CC(=C(C=C1C=O)Br)F |
| Synonym | 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde |
| IUPAC Name | 3-bromo-4-fluorobenzaldehyde |
| InChI Key | FAHZIKXYYRGSHF-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
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 |
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 |
3-Aminobenzyl alcohol, 97%
CAS: 1877-77-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00007817 InChI Key: OJZQOQNSUZLSMV-UHFFFAOYSA-N Synonym: 3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol PubChem CID: 80293 IUPAC Name: (3-aminophenyl)methanol SMILES: NC1=CC=CC(CO)=C1
| PubChem CID | 80293 |
|---|---|
| CAS | 1877-77-6 |
| Molecular Weight (g/mol) | 123.16 |
| MDL Number | MFCD00007817 |
| SMILES | NC1=CC=CC(CO)=C1 |
| Synonym | 3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol |
| IUPAC Name | (3-aminophenyl)methanol |
| InChI Key | OJZQOQNSUZLSMV-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
alpha-Bromo-m-tolunitrile, 95%
CAS: 28188-41-2 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001809 InChI Key: CVKOOKPNCVYHNY-UHFFFAOYSA-N Synonym: 3-bromomethyl benzonitrile,3-cyanobenzyl bromide,alpha-bromo-m-tolunitrile,m-cyanobenzyl bromide,benzonitrile, 3-bromomethyl,m-bromomethyl benzonitrile,alpha-bromo-m-toluonitrile,m-tolunitrile, .alpha.-bromo,a-bromo-m-tolunitrile,3-bromomethyl-benzonitrile PubChem CID: 97249 IUPAC Name: 3-(bromomethyl)benzonitrile SMILES: BrCC1=CC=CC(=C1)C#N
| PubChem CID | 97249 |
|---|---|
| CAS | 28188-41-2 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00001809 |
| SMILES | BrCC1=CC=CC(=C1)C#N |
| Synonym | 3-bromomethyl benzonitrile,3-cyanobenzyl bromide,alpha-bromo-m-tolunitrile,m-cyanobenzyl bromide,benzonitrile, 3-bromomethyl,m-bromomethyl benzonitrile,alpha-bromo-m-toluonitrile,m-tolunitrile, .alpha.-bromo,a-bromo-m-tolunitrile,3-bromomethyl-benzonitrile |
| IUPAC Name | 3-(bromomethyl)benzonitrile |
| InChI Key | CVKOOKPNCVYHNY-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
2,4-Dimethoxybenzyl alcohol, 99%
CAS: 7314-44-5 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00004614 InChI Key: RNKOUSCCPHSCFE-UHFFFAOYSA-N Synonym: 2,4-dimethoxybenzyl alcohol,2,4-dimethoxyphenyl methanol,benzenemethanol, 2,4-dimethoxy,2,4-dimethoxybenzylalcohol,1-hydroxymethyl-2,4-dimethoxybenzene,2,4-dimethoxyphenyl methan-1-ol,pubchem7454,acmc-209opp,2,4-dimethoxy-benzylalcohol,2,4-dimethoxybenzyl-alcohol PubChem CID: 81750 IUPAC Name: (2,4-dimethoxyphenyl)methanol SMILES: COC1=CC(=C(C=C1)CO)OC
| PubChem CID | 81750 |
|---|---|
| CAS | 7314-44-5 |
| Molecular Weight (g/mol) | 168.19 |
| MDL Number | MFCD00004614 |
| SMILES | COC1=CC(=C(C=C1)CO)OC |
| Synonym | 2,4-dimethoxybenzyl alcohol,2,4-dimethoxyphenyl methanol,benzenemethanol, 2,4-dimethoxy,2,4-dimethoxybenzylalcohol,1-hydroxymethyl-2,4-dimethoxybenzene,2,4-dimethoxyphenyl methan-1-ol,pubchem7454,acmc-209opp,2,4-dimethoxy-benzylalcohol,2,4-dimethoxybenzyl-alcohol |
| IUPAC Name | (2,4-dimethoxyphenyl)methanol |
| InChI Key | RNKOUSCCPHSCFE-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
3-Methylsalicylic acid, 99%
CAS: 83-40-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002448 InChI Key: WHSXTWFYRGOBGO-UHFFFAOYSA-N Synonym: 3-methylsalicylic acid,hydroxytoluic acid,o-cresotic acid,o-cresotinic acid,cresotic acid,o-homosalicylic acid,2-hydroxy-m-toluic acid,2,3-cresotinic acid,cresotinic acid,benzoic acid, 2-hydroxy-3-methyl PubChem CID: 6738 ChEBI: CHEBI:20141 IUPAC Name: 2-hydroxy-3-methylbenzoic acid SMILES: CC1=CC=CC(C(O)=O)=C1O
| PubChem CID | 6738 |
|---|---|
| CAS | 83-40-9 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:20141 |
| MDL Number | MFCD00002448 |
| SMILES | CC1=CC=CC(C(O)=O)=C1O |
| Synonym | 3-methylsalicylic acid,hydroxytoluic acid,o-cresotic acid,o-cresotinic acid,cresotic acid,o-homosalicylic acid,2-hydroxy-m-toluic acid,2,3-cresotinic acid,cresotinic acid,benzoic acid, 2-hydroxy-3-methyl |
| IUPAC Name | 2-hydroxy-3-methylbenzoic acid |
| InChI Key | WHSXTWFYRGOBGO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
2,3-Dichloroanisole, Spectrum™ Chemical
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CAS: 1984-59-4
| CAS | 1984-59-4 |
|---|
Thermo Scientific Chemicals alpha,alpha-Diphenylglycine, 98%
CAS: 3060-50-2 Molecular Formula: C14H13NO2 Molecular Weight (g/mol): 227.26 MDL Number: MFCD00008048 InChI Key: YBONNYNNFBAKLI-UHFFFAOYSA-N Synonym: 2,2-diphenylglycine,alpha,alpha-diphenylglycine,alpha-aminodiphenylacetic acid,glycine, 2,2-diphenyl,alpha-amino-alpha-phenylbenzeneacetic acid,.alpha.-aminodiphenylacetic acid,.alpha.,.alpha.-diphenylglycine,benzeneacetic acid, .alpha.-amino-.alpha.-phenyl,aminodiphenylacetic acid,phenytoin impurity c PubChem CID: 18289 IUPAC Name: 2-amino-2,2-diphenylacetic acid SMILES: NC(C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 18289 |
|---|---|
| CAS | 3060-50-2 |
| Molecular Weight (g/mol) | 227.26 |
| MDL Number | MFCD00008048 |
| SMILES | NC(C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2,2-diphenylglycine,alpha,alpha-diphenylglycine,alpha-aminodiphenylacetic acid,glycine, 2,2-diphenyl,alpha-amino-alpha-phenylbenzeneacetic acid,.alpha.-aminodiphenylacetic acid,.alpha.,.alpha.-diphenylglycine,benzeneacetic acid, .alpha.-amino-.alpha.-phenyl,aminodiphenylacetic acid,phenytoin impurity c |
| IUPAC Name | 2-amino-2,2-diphenylacetic acid |
| InChI Key | YBONNYNNFBAKLI-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO2 |