Benzene and substituted derivatives
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Methyl 2,6-difluorobenzoate, 97%
CAS: 13671-00-6 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00051778 InChI Key: QNPFLTKQLFSKBY-UHFFFAOYSA-N PubChem CID: 518798 IUPAC Name: methyl 2,6-difluorobenzoate SMILES: COC(=O)C1=C(C=CC=C1F)F
| PubChem CID | 518798 |
|---|---|
| CAS | 13671-00-6 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00051778 |
| SMILES | COC(=O)C1=C(C=CC=C1F)F |
| IUPAC Name | methyl 2,6-difluorobenzoate |
| InChI Key | QNPFLTKQLFSKBY-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
(+/-)-1-(4-Bromophenyl)ethylamine, 96%
CAS: 24358-62-1 Molecular Formula: C8H10BrN Molecular Weight (g/mol): 200.079 MDL Number: MFCD00025548 InChI Key: SOZMSEPDYJGBEK-UHFFFAOYSA-N Synonym: 1-4-bromophenyl ethylamine,1-4-bromophenyl ethanamine,4-bromo-alpha-methylbenzylamine,4-bromo-alpha-phenethylamine,1-4-bromophenyl ethan-1-amine,1-4-bromophenyl ethyl amine,--1-4-bromophenyl ethylamine,+-p-bromo-.alpha.-phenethylamine,1-amino-1-4-bromophenyl ethane,+/--1-4-bromophenyl ethylamine PubChem CID: 91175 IUPAC Name: 1-(4-bromophenyl)ethanamine SMILES: CC(C1=CC=C(C=C1)Br)N
| PubChem CID | 91175 |
|---|---|
| CAS | 24358-62-1 |
| Molecular Weight (g/mol) | 200.079 |
| MDL Number | MFCD00025548 |
| SMILES | CC(C1=CC=C(C=C1)Br)N |
| Synonym | 1-4-bromophenyl ethylamine,1-4-bromophenyl ethanamine,4-bromo-alpha-methylbenzylamine,4-bromo-alpha-phenethylamine,1-4-bromophenyl ethan-1-amine,1-4-bromophenyl ethyl amine,--1-4-bromophenyl ethylamine,+-p-bromo-.alpha.-phenethylamine,1-amino-1-4-bromophenyl ethane,+/--1-4-bromophenyl ethylamine |
| IUPAC Name | 1-(4-bromophenyl)ethanamine |
| InChI Key | SOZMSEPDYJGBEK-UHFFFAOYSA-N |
| Molecular Formula | C8H10BrN |
3-(Difluoromethoxy)benzyl alcohol
CAS: 125903-81-3 Molecular Formula: C8H8F2O2 Molecular Weight (g/mol): 174.15 MDL Number: MFCD00236227 InChI Key: BBDUCPSYPRGPGO-UHFFFAOYSA-N Synonym: 3-difluoromethoxy benzyl alcohol,3-difluoromethoxy phenyl methanol,3-difluoromethoxy phenyl methan-1-ol,acmc-1c79n,benzenemethanol, 3-difluoromethoxy,alpha,alpha-difluoro-3-hydroxymethyl anisole, 3-difluoromethoxy phenyl methanol PubChem CID: 2736994 IUPAC Name: [3-(difluoromethoxy)phenyl]methanol SMILES: OCC1=CC(OC(F)F)=CC=C1
| PubChem CID | 2736994 |
|---|---|
| CAS | 125903-81-3 |
| Molecular Weight (g/mol) | 174.15 |
| MDL Number | MFCD00236227 |
| SMILES | OCC1=CC(OC(F)F)=CC=C1 |
| Synonym | 3-difluoromethoxy benzyl alcohol,3-difluoromethoxy phenyl methanol,3-difluoromethoxy phenyl methan-1-ol,acmc-1c79n,benzenemethanol, 3-difluoromethoxy,alpha,alpha-difluoro-3-hydroxymethyl anisole, 3-difluoromethoxy phenyl methanol |
| IUPAC Name | [3-(difluoromethoxy)phenyl]methanol |
| InChI Key | BBDUCPSYPRGPGO-UHFFFAOYSA-N |
| Molecular Formula | C8H8F2O2 |
4-Amino-N,N-dimethylbenzamide, 97+%
CAS: 6331-71-1 Molecular Formula: C9H12N2O Molecular Weight (g/mol): 164.21 MDL Number: MFCD00523648 InChI Key: QEPGWLBMAAEBCP-UHFFFAOYSA-N Synonym: benzamide, 4-amino-n,n-dimethyl,4-amino-n,n-dimethyl-benzamide,n,n-dimethyl 4-aminobenzamide,4-aminophenyl-n,n-dimethylcarboxamide,4-dimethylcarbamyl aniline,acmc-1bgt4,4-dimethylcarbamoyl aniline,n,n-dimethyl-p-aminobenzamide,p-amino-n,n-dimethylbenzamide,n,n-dimethyl-4-aminobenzamide PubChem CID: 235527 IUPAC Name: 4-amino-N,N-dimethylbenzamide SMILES: CN(C)C(=O)C1=CC=C(N)C=C1
| PubChem CID | 235527 |
|---|---|
| CAS | 6331-71-1 |
| Molecular Weight (g/mol) | 164.21 |
| MDL Number | MFCD00523648 |
| SMILES | CN(C)C(=O)C1=CC=C(N)C=C1 |
| Synonym | benzamide, 4-amino-n,n-dimethyl,4-amino-n,n-dimethyl-benzamide,n,n-dimethyl 4-aminobenzamide,4-aminophenyl-n,n-dimethylcarboxamide,4-dimethylcarbamyl aniline,acmc-1bgt4,4-dimethylcarbamoyl aniline,n,n-dimethyl-p-aminobenzamide,p-amino-n,n-dimethylbenzamide,n,n-dimethyl-4-aminobenzamide |
| IUPAC Name | 4-amino-N,N-dimethylbenzamide |
| InChI Key | QEPGWLBMAAEBCP-UHFFFAOYSA-N |
| Molecular Formula | C9H12N2O |
5-Methyl-2-nitrobenzoic acid, 98+%
CAS: 3113-72-2 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007368 InChI Key: QRRSIFNWHCKMSW-UHFFFAOYSA-N Synonym: 5-methyl-2-nitrobenzoic acid,2-nitro-5-methylbenzoic acid,benzoic acid, 5-methyl-2-nitro,3-methyl-6-nitrobenzoic acid,6-nitro-m-toluic acid,m-toluic acid, 6-nitro,6-nitro-p-toluic acid,5-methyl-2-nitrobenzoicacid,5-methyl-2-nitro-benzoic acid,benzoic acid,5-methyl-2-nitro PubChem CID: 18371 SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
| PubChem CID | 18371 |
|---|---|
| CAS | 3113-72-2 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007368 |
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
| Synonym | 5-methyl-2-nitrobenzoic acid,2-nitro-5-methylbenzoic acid,benzoic acid, 5-methyl-2-nitro,3-methyl-6-nitrobenzoic acid,6-nitro-m-toluic acid,m-toluic acid, 6-nitro,6-nitro-p-toluic acid,5-methyl-2-nitrobenzoicacid,5-methyl-2-nitro-benzoic acid,benzoic acid,5-methyl-2-nitro |
| InChI Key | QRRSIFNWHCKMSW-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
3,5-Dibromobenzyl bromide, 99%
CAS: 56908-88-4 Molecular Formula: C7H5Br3 Molecular Weight (g/mol): 328.83 MDL Number: MFCD00052415 InChI Key: PWTFRUXTAFBWBW-UHFFFAOYSA-N Synonym: 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene PubChem CID: 143427 IUPAC Name: 1,3-dibromo-5-(bromomethyl)benzene SMILES: BrCC1=CC(Br)=CC(Br)=C1
| PubChem CID | 143427 |
|---|---|
| CAS | 56908-88-4 |
| Molecular Weight (g/mol) | 328.83 |
| MDL Number | MFCD00052415 |
| SMILES | BrCC1=CC(Br)=CC(Br)=C1 |
| Synonym | 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene |
| IUPAC Name | 1,3-dibromo-5-(bromomethyl)benzene |
| InChI Key | PWTFRUXTAFBWBW-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br3 |
3-Phenoxyphenylacetic acid, 98%
CAS: 32852-81-6 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00016826 InChI Key: LEMRHTTWKDVQEI-UHFFFAOYSA-N Synonym: 3-phenoxyphenylacetic acid,2-3-phenoxyphenyl acetic acid,3-phenoxyphenyl acetic acid,3-phenoxy-phenyl-acetic acid,benzeneacetic acid, 3-phenoxy,3-phenoxyphenylaceticacid,m-phenoxyphenylacetic acid,acmc-20a35b,3-phenoxybenzeneacetic acid,3-phenoxyphenyl-acetic acid PubChem CID: 141749 IUPAC Name: 2-(3-phenoxyphenyl)acetic acid SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)CC(=O)O
| PubChem CID | 141749 |
|---|---|
| CAS | 32852-81-6 |
| Molecular Weight (g/mol) | 228.247 |
| MDL Number | MFCD00016826 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)CC(=O)O |
| Synonym | 3-phenoxyphenylacetic acid,2-3-phenoxyphenyl acetic acid,3-phenoxyphenyl acetic acid,3-phenoxy-phenyl-acetic acid,benzeneacetic acid, 3-phenoxy,3-phenoxyphenylaceticacid,m-phenoxyphenylacetic acid,acmc-20a35b,3-phenoxybenzeneacetic acid,3-phenoxyphenyl-acetic acid |
| IUPAC Name | 2-(3-phenoxyphenyl)acetic acid |
| InChI Key | LEMRHTTWKDVQEI-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
3,5-Dimethylbenzyl alcohol, 99%
CAS: 27129-87-9 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004648 InChI Key: IQWWTJDRVBWBEL-UHFFFAOYSA-N PubChem CID: 33706 IUPAC Name: (3,5-dimethylphenyl)methanol SMILES: CC1=CC(=CC(=C1)CO)C
| PubChem CID | 33706 |
|---|---|
| CAS | 27129-87-9 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00004648 |
| SMILES | CC1=CC(=CC(=C1)CO)C |
| IUPAC Name | (3,5-dimethylphenyl)methanol |
| InChI Key | IQWWTJDRVBWBEL-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
Phenyl methanesulfonate, 98%
CAS: 16156-59-5 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00095143 InChI Key: WXVUCMFEGJUVTN-UHFFFAOYSA-N Synonym: phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester PubChem CID: 316170 IUPAC Name: phenyl methanesulfonate SMILES: CS(=O)(=O)OC1=CC=CC=C1
| PubChem CID | 316170 |
|---|---|
| CAS | 16156-59-5 |
| Molecular Weight (g/mol) | 172.20 |
| MDL Number | MFCD00095143 |
| SMILES | CS(=O)(=O)OC1=CC=CC=C1 |
| Synonym | phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester |
| IUPAC Name | phenyl methanesulfonate |
| InChI Key | WXVUCMFEGJUVTN-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3S |
2-Bromo-5-fluorobenzaldehyde, 98%
CAS: 94569-84-3 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00142872 InChI Key: CJUCIKJLMFVWIS-UHFFFAOYSA-N Synonym: benzaldehyde, 2-bromo-5-fluoro,2-bromo-5-fluorobenzaldhyde,5-fluoro-2-bromo benzaldehyde,2-bromo-5-fluoro-benzaldehyde,pubchem1418,acmc-209rsk,ksc494g0d,2-bromo-5-fluoro benzaldehyde,2-bromo-5-fluorobenzaldehyde PubChem CID: 2773321 IUPAC Name: 2-bromo-5-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1F)C=O)Br
| PubChem CID | 2773321 |
|---|---|
| CAS | 94569-84-3 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00142872 |
| SMILES | C1=CC(=C(C=C1F)C=O)Br |
| Synonym | benzaldehyde, 2-bromo-5-fluoro,2-bromo-5-fluorobenzaldhyde,5-fluoro-2-bromo benzaldehyde,2-bromo-5-fluoro-benzaldehyde,pubchem1418,acmc-209rsk,ksc494g0d,2-bromo-5-fluoro benzaldehyde,2-bromo-5-fluorobenzaldehyde |
| IUPAC Name | 2-bromo-5-fluorobenzaldehyde |
| InChI Key | CJUCIKJLMFVWIS-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
2-Bromobenzyl chloride, 97%
CAS: 578-51-8 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00040863 InChI Key: DDVSFIUKWUTKES-UHFFFAOYSA-N Synonym: 1-bromo-2-chloromethyl benzene,2-bromobenzyl chloride,o-bromobenzyl chloride,benzene,1-bromo-2-chloromethyl,benzene, 1-bromo-2-chloromethyl,o-brombenzylchlorid,acmc-1aunq,3-bromo-2-chloromethylbenzene,1-bromo-2-chloromethyl benzene # PubChem CID: 521816 IUPAC Name: 1-bromo-2-(chloromethyl)benzene SMILES: C1=CC=C(C(=C1)CCl)Br
| PubChem CID | 521816 |
|---|---|
| CAS | 578-51-8 |
| Molecular Weight (g/mol) | 205.479 |
| MDL Number | MFCD00040863 |
| SMILES | C1=CC=C(C(=C1)CCl)Br |
| Synonym | 1-bromo-2-chloromethyl benzene,2-bromobenzyl chloride,o-bromobenzyl chloride,benzene,1-bromo-2-chloromethyl,benzene, 1-bromo-2-chloromethyl,o-brombenzylchlorid,acmc-1aunq,3-bromo-2-chloromethylbenzene,1-bromo-2-chloromethyl benzene # |
| IUPAC Name | 1-bromo-2-(chloromethyl)benzene |
| InChI Key | DDVSFIUKWUTKES-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
3-Amino-4-methylphenylboronic acid, 98%, Thermo Scientific™
CAS: 22237-12-3 Molecular Formula: C7H11BClNO2 Molecular Weight (g/mol): 187.43 MDL Number: MFCD01632201 InChI Key: BKFDOPYYSBQWIK-UHFFFAOYSA-N Synonym: 3-amino-4-methylphenyl boronic acid,3-amino-4-methylbenzeneboronic acid,3-amino-4-methyl-phenyl boronic acid,3-amino-p-tolylboronic acid,boronic acid, 3-amino-4-methylphenyl,acmc-20agxu,pubchem1745,3-amino-4-methylphenylboranic acid,3-amino4methyl phenyl boronic acid PubChem CID: 2737803 SMILES: Cl.CC1=CC=C(C=C1N)B(O)O
| PubChem CID | 2737803 |
|---|---|
| CAS | 22237-12-3 |
| Molecular Weight (g/mol) | 187.43 |
| MDL Number | MFCD01632201 |
| SMILES | Cl.CC1=CC=C(C=C1N)B(O)O |
| Synonym | 3-amino-4-methylphenyl boronic acid,3-amino-4-methylbenzeneboronic acid,3-amino-4-methyl-phenyl boronic acid,3-amino-p-tolylboronic acid,boronic acid, 3-amino-4-methylphenyl,acmc-20agxu,pubchem1745,3-amino-4-methylphenylboranic acid,3-amino4methyl phenyl boronic acid |
| InChI Key | BKFDOPYYSBQWIK-UHFFFAOYSA-N |
| Molecular Formula | C7H11BClNO2 |
Phenoxyethanol, Reagent, 99%, Spectrum™ Chemical
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CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N IUPAC Name: 2-phenoxyethan-1-ol SMILES: OCCOC1=CC=CC=C1
| CAS | 122-99-6 |
|---|---|
| Molecular Weight (g/mol) | 138.17 |
| SMILES | OCCOC1=CC=CC=C1 |
| IUPAC Name | 2-phenoxyethan-1-ol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
1-Bromo-4-n-propoxybenzene, 98%
CAS: 39969-56-7 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD00156160 InChI Key: VVPARGBRVKRZJC-UHFFFAOYSA-N Synonym: 4-n-propoxybromobenzene,1-bromo-4-propoxylbenzene,1-bromo-4-n-propoxybenzene,1-bromo-4-n-propyloxybenzene,p-bromphenyl-n-propylather,acmc-209j9h,1-bromo-4-propoxy-benzene,1-4-bromophenoxy propane,4-bromophenyl propyl ether,1-bromanyl-4-propoxy-benzene PubChem CID: 2734198 IUPAC Name: 1-bromo-4-propoxybenzene SMILES: CCCOC1=CC=C(C=C1)Br
| PubChem CID | 2734198 |
|---|---|
| CAS | 39969-56-7 |
| Molecular Weight (g/mol) | 215.09 |
| MDL Number | MFCD00156160 |
| SMILES | CCCOC1=CC=C(C=C1)Br |
| Synonym | 4-n-propoxybromobenzene,1-bromo-4-propoxylbenzene,1-bromo-4-n-propoxybenzene,1-bromo-4-n-propyloxybenzene,p-bromphenyl-n-propylather,acmc-209j9h,1-bromo-4-propoxy-benzene,1-4-bromophenoxy propane,4-bromophenyl propyl ether,1-bromanyl-4-propoxy-benzene |
| IUPAC Name | 1-bromo-4-propoxybenzene |
| InChI Key | VVPARGBRVKRZJC-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO |
3-Bromobenzylsulfonyl chloride, 97%, Thermo Scientific™
CAS: 58236-74-1 Molecular Formula: C7H6BrClO2S Molecular Weight (g/mol): 269.537 MDL Number: MFCD06798043 InChI Key: VCGKEAIINMDLMC-UHFFFAOYSA-N Synonym: 3-bromophenyl methanesulfonyl chloride,3-bromobenzylsulfonyl chloride,3-bromophenyl methanesulphonyl chloride,benzenemethanesulfonylchloride, 3-bromo,benzenemethanesulfonyl chloride, 3-bromo,3-bromobenzylsulphonyl chloride,3-bromophenyl methylsulphonyl chloride PubChem CID: 2761451 IUPAC Name: (3-bromophenyl)methanesulfonyl chloride SMILES: C1=CC(=CC(=C1)Br)CS(=O)(=O)Cl
| PubChem CID | 2761451 |
|---|---|
| CAS | 58236-74-1 |
| Molecular Weight (g/mol) | 269.537 |
| MDL Number | MFCD06798043 |
| SMILES | C1=CC(=CC(=C1)Br)CS(=O)(=O)Cl |
| Synonym | 3-bromophenyl methanesulfonyl chloride,3-bromobenzylsulfonyl chloride,3-bromophenyl methanesulphonyl chloride,benzenemethanesulfonylchloride, 3-bromo,benzenemethanesulfonyl chloride, 3-bromo,3-bromobenzylsulphonyl chloride,3-bromophenyl methylsulphonyl chloride |
| IUPAC Name | (3-bromophenyl)methanesulfonyl chloride |
| InChI Key | VCGKEAIINMDLMC-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO2S |