Benzene and substituted derivatives
Filtered Search Results
4-tert-Butyltoluene, 96%
CAS: 98-51-1 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.25 MDL Number: MFCD00008837 InChI Key: QCWXDVFBZVHKLV-UHFFFAOYSA-N Synonym: 4-tert-butyltoluene,p-tert-butyltoluene,1-tert-butyl-4-methylbenzene,p-t-butyltoluene,benzene, 1-1,1-dimethylethyl-4-methyl,4-t-butyltoluene,p-methyl-tert-butylbenzene,toluene, p-tert-butyl,1-methyl-4-tert-butylbenzene,4-methyl-tert-butylbenzene PubChem CID: 7390 IUPAC Name: 1-tert-butyl-4-methylbenzene SMILES: CC1=CC=C(C=C1)C(C)(C)C
| PubChem CID | 7390 |
|---|---|
| CAS | 98-51-1 |
| Molecular Weight (g/mol) | 148.25 |
| MDL Number | MFCD00008837 |
| SMILES | CC1=CC=C(C=C1)C(C)(C)C |
| Synonym | 4-tert-butyltoluene,p-tert-butyltoluene,1-tert-butyl-4-methylbenzene,p-t-butyltoluene,benzene, 1-1,1-dimethylethyl-4-methyl,4-t-butyltoluene,p-methyl-tert-butylbenzene,toluene, p-tert-butyl,1-methyl-4-tert-butylbenzene,4-methyl-tert-butylbenzene |
| IUPAC Name | 1-tert-butyl-4-methylbenzene |
| InChI Key | QCWXDVFBZVHKLV-UHFFFAOYSA-N |
| Molecular Formula | C11H16 |
4-Methoxybenzyl Chloride (stabilized with Amylene) 98.0+%, TCI America™
CAS: 824-94-2 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00000915 InChI Key: MOHYOXXOKFQHDC-UHFFFAOYSA-N Synonym: 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl PubChem CID: 69993 IUPAC Name: 1-(chloromethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CCl
| PubChem CID | 69993 |
|---|---|
| CAS | 824-94-2 |
| Molecular Weight (g/mol) | 156.609 |
| MDL Number | MFCD00000915 |
| SMILES | COC1=CC=C(C=C1)CCl |
| Synonym | 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl |
| IUPAC Name | 1-(chloromethyl)-4-methoxybenzene |
| InChI Key | MOHYOXXOKFQHDC-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
Bromobenzene 99.0+%, TCI America™
CAS: 108-86-1 Molecular Formula: C6H5Br Molecular Weight (g/mol): 157.01 MDL Number: MFCD00000055 InChI Key: QARVLSVVCXYDNA-UHFFFAOYSA-N Synonym: benzene, bromo,monobromobenzene,phenyl bromide,bromo-benzene,1-bromobenzene,phbr,bromo benzene,4-bromobenzene,unii-co4d5j547l,hsdb 47 PubChem CID: 7961 ChEBI: CHEBI:3179 IUPAC Name: bromobenzene SMILES: BrC1=CC=CC=C1
| PubChem CID | 7961 |
|---|---|
| CAS | 108-86-1 |
| Molecular Weight (g/mol) | 157.01 |
| ChEBI | CHEBI:3179 |
| MDL Number | MFCD00000055 |
| SMILES | BrC1=CC=CC=C1 |
| Synonym | benzene, bromo,monobromobenzene,phenyl bromide,bromo-benzene,1-bromobenzene,phbr,bromo benzene,4-bromobenzene,unii-co4d5j547l,hsdb 47 |
| IUPAC Name | bromobenzene |
| InChI Key | QARVLSVVCXYDNA-UHFFFAOYSA-N |
| Molecular Formula | C6H5Br |
Benzophenone, 99%
CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.222 MDL Number: MFCD00003076 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) | 182.222 |
| ChEBI | CHEBI:41308 |
| MDL Number | MFCD00003076 |
| 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 |
p-Xylylene dibromide, 97%
CAS: 623-24-5 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000182 InChI Key: RBZMSGOBSOCYHR-UHFFFAOYSA-N Synonym: 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775 PubChem CID: 69335 IUPAC Name: 1,4-bis(bromomethyl)benzene SMILES: C1=CC(=CC=C1CBr)CBr
| PubChem CID | 69335 |
|---|---|
| CAS | 623-24-5 |
| Molecular Weight (g/mol) | 263.96 |
| MDL Number | MFCD00000182 |
| SMILES | C1=CC(=CC=C1CBr)CBr |
| Synonym | 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775 |
| IUPAC Name | 1,4-bis(bromomethyl)benzene |
| InChI Key | RBZMSGOBSOCYHR-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2 |
3-Methoxybenzaldehyde, 98%
CAS: 591-31-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003361 InChI Key: WMPDAIZRQDCGFH-UHFFFAOYSA-N Synonym: m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh PubChem CID: 11569 IUPAC Name: 3-methoxybenzaldehyde SMILES: COC1=CC=CC(=C1)C=O
| PubChem CID | 11569 |
|---|---|
| CAS | 591-31-1 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00003361 |
| SMILES | COC1=CC=CC(=C1)C=O |
| Synonym | m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh |
| IUPAC Name | 3-methoxybenzaldehyde |
| InChI Key | WMPDAIZRQDCGFH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
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 |
4-Hydroxybenzophenone, 98%
CAS: 1137-42-4 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00002355 InChI Key: NPFYZDNDJHZQKY-UHFFFAOYSA-N Synonym: 4-hydroxybenzophenone,4-benzoylphenol,4-hydroxyphenyl phenyl methanone,p-benzoylphenol,p-hydroxybenzophenone,methanone, 4-hydroxyphenyl phenyl,4-hydroxyphenyl phenylmethanone,benzophenone, 4-hydroxy,unii-04r2lws0ms,4'-hydroxybenzophenone PubChem CID: 14347 ChEBI: CHEBI:34421 IUPAC Name: (4-hydroxyphenyl)-phenylmethanone SMILES: OC1=CC=C(C=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 14347 |
|---|---|
| CAS | 1137-42-4 |
| Molecular Weight (g/mol) | 198.22 |
| ChEBI | CHEBI:34421 |
| MDL Number | MFCD00002355 |
| SMILES | OC1=CC=C(C=C1)C(=O)C1=CC=CC=C1 |
| Synonym | 4-hydroxybenzophenone,4-benzoylphenol,4-hydroxyphenyl phenyl methanone,p-benzoylphenol,p-hydroxybenzophenone,methanone, 4-hydroxyphenyl phenyl,4-hydroxyphenyl phenylmethanone,benzophenone, 4-hydroxy,unii-04r2lws0ms,4'-hydroxybenzophenone |
| IUPAC Name | (4-hydroxyphenyl)-phenylmethanone |
| InChI Key | NPFYZDNDJHZQKY-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
N,N-Dimethyl-m-toluidine, 97+%
CAS: 121-72-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008305 InChI Key: CWOMTHDOJCARBY-UHFFFAOYSA-N Synonym: n,n-dimethyl-m-toluidine,benzenamine, n,n,3-trimethyl,dimethyl-m-toluidine,m-methyl-n,n-dimethylaniline,n,n-dimethyl-m-methylaniline,m,n,n-trimethylaniline,n,n-dimethyl-3-methylaniline,dimetil-m-toluidina,n,n,3-trimethylbenzenamine,benzene, 1-dimethylamino-3-methyl PubChem CID: 8488 IUPAC Name: N,N,3-trimethylaniline SMILES: CN(C)C1=CC=CC(C)=C1
| PubChem CID | 8488 |
|---|---|
| CAS | 121-72-2 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008305 |
| SMILES | CN(C)C1=CC=CC(C)=C1 |
| Synonym | n,n-dimethyl-m-toluidine,benzenamine, n,n,3-trimethyl,dimethyl-m-toluidine,m-methyl-n,n-dimethylaniline,n,n-dimethyl-m-methylaniline,m,n,n-trimethylaniline,n,n-dimethyl-3-methylaniline,dimetil-m-toluidina,n,n,3-trimethylbenzenamine,benzene, 1-dimethylamino-3-methyl |
| IUPAC Name | N,N,3-trimethylaniline |
| InChI Key | CWOMTHDOJCARBY-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
1,4-Dimethoxybenzene, 98%
CAS: 150-78-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008401 InChI Key: OHBQPCCCRFSCAX-UHFFFAOYSA-N Synonym: p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9 PubChem CID: 9016 IUPAC Name: 1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C=C1
| PubChem CID | 9016 |
|---|---|
| CAS | 150-78-7 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00008401 |
| SMILES | COC1=CC=C(OC)C=C1 |
| Synonym | p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9 |
| IUPAC Name | 1,4-dimethoxybenzene |
| InChI Key | OHBQPCCCRFSCAX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
4-(Aminomethyl)benzoic acid, 99%
CAS: 56-91-7 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00010203 InChI Key: QCTBMLYLENLHLA-UHFFFAOYSA-N Synonym: 4-aminomethyl benzoic acid,4-carboxybenzylamine,pamba,styptopur,gumbix,p-aminomethylbenzoic acid,aminomethylbenzoic acid,benzoic acid, 4-aminomethyl,benzylamine-4-carboxylic acid,alpha-amino-p-toluic acid PubChem CID: 65526 IUPAC Name: 4-(aminomethyl)benzoic acid SMILES: C1=CC(=CC=C1CN)C(=O)O
| PubChem CID | 65526 |
|---|---|
| CAS | 56-91-7 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00010203 |
| SMILES | C1=CC(=CC=C1CN)C(=O)O |
| Synonym | 4-aminomethyl benzoic acid,4-carboxybenzylamine,pamba,styptopur,gumbix,p-aminomethylbenzoic acid,aminomethylbenzoic acid,benzoic acid, 4-aminomethyl,benzylamine-4-carboxylic acid,alpha-amino-p-toluic acid |
| IUPAC Name | 4-(aminomethyl)benzoic acid |
| InChI Key | QCTBMLYLENLHLA-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
4-Methoxysalicylic acid, 99%
CAS: 2237-36-7 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002450 InChI Key: MRIXVKKOHPQOFK-UHFFFAOYSA-N Synonym: 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b PubChem CID: 75231 IUPAC Name: 2-hydroxy-4-methoxybenzoic acid SMILES: COC1=CC=C(C(O)=O)C(O)=C1
| PubChem CID | 75231 |
|---|---|
| CAS | 2237-36-7 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00002450 |
| SMILES | COC1=CC=C(C(O)=O)C(O)=C1 |
| Synonym | 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b |
| IUPAC Name | 2-hydroxy-4-methoxybenzoic acid |
| InChI Key | MRIXVKKOHPQOFK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
(+/-)-Atenolol
CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.341 MDL Number: MFCD00057645 InChI Key: METKIMKYRPQLGS-UHFFFAOYSA-N Synonym: atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm PubChem CID: 2249 ChEBI: CHEBI:2904 IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide SMILES: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
| PubChem CID | 2249 |
|---|---|
| CAS | 29122-68-7 |
| Molecular Weight (g/mol) | 266.341 |
| ChEBI | CHEBI:2904 |
| MDL Number | MFCD00057645 |
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O |
| Synonym | atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm |
| IUPAC Name | 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| InChI Key | METKIMKYRPQLGS-UHFFFAOYSA-N |
| Molecular Formula | C14H22N2O3 |
Benzyltrimethylammonium hydroxide, 40% w/w aq. soln.
CAS: 100-85-6 Molecular Formula: C10H17NO Molecular Weight (g/mol): 167.252 MDL Number: MFCD00008281 InChI Key: NDKBVBUGCNGSJJ-UHFFFAOYSA-M Synonym: benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide PubChem CID: 66854 IUPAC Name: benzyl(trimethyl)azanium;hydroxide SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]
| PubChem CID | 66854 |
|---|---|
| CAS | 100-85-6 |
| Molecular Weight (g/mol) | 167.252 |
| MDL Number | MFCD00008281 |
| SMILES | C[N+](C)(C)CC1=CC=CC=C1.[OH-] |
| Synonym | benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide |
| IUPAC Name | benzyl(trimethyl)azanium;hydroxide |
| InChI Key | NDKBVBUGCNGSJJ-UHFFFAOYSA-M |
| Molecular Formula | C10H17NO |
4-Allyl-1,2-dimethoxybenzene 98.0+%, TCI America™
CAS: 93-15-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00008652 InChI Key: ZYEMGPIYFIJGTP-UHFFFAOYSA-N Synonym: methyleugenol,methyl eugenol,4-allyl-1,2-dimethoxybenzene,eugenol methyl ether,4-allylveratrole,o-methyleugenol,eugenyl methyl ether,3,4-dimethoxyallylbenzene,methyl eugenol ether,veratrole methyl ether PubChem CID: 7127 ChEBI: CHEBI:4918 IUPAC Name: 1,2-dimethoxy-4-prop-2-enylbenzene SMILES: COC1=C(C=C(C=C1)CC=C)OC
| PubChem CID | 7127 |
|---|---|
| CAS | 93-15-2 |
| Molecular Weight (g/mol) | 178.231 |
| ChEBI | CHEBI:4918 |
| MDL Number | MFCD00008652 |
| SMILES | COC1=C(C=C(C=C1)CC=C)OC |
| Synonym | methyleugenol,methyl eugenol,4-allyl-1,2-dimethoxybenzene,eugenol methyl ether,4-allylveratrole,o-methyleugenol,eugenyl methyl ether,3,4-dimethoxyallylbenzene,methyl eugenol ether,veratrole methyl ether |
| IUPAC Name | 1,2-dimethoxy-4-prop-2-enylbenzene |
| InChI Key | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |