Benzene and substituted derivatives
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4-Chloro-4'-hydroxybenzophenone 98.0+%, TCI America™
CAS: 42019-78-3 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.66 MDL Number: MFCD00002357 InChI Key: RUETVLNXAGWCDS-UHFFFAOYSA-N Synonym: 4-chloro-4'-hydroxybenzophenone,4-chlorophenyl 4-hydroxyphenyl methanone,4-hydroxy-4'-chlorobenzophenone,4-p-chlorobenzoylphenol,4-4-chlorobenzoyl phenol,4-chlorophenyl 4-hydroxyphenyl-methanone,methanone, 4-chlorophenyl 4-hydroxyphenyl,4-chlorophenyl-4-hydroxyphenyl methanone,4-chlorophenyl 4-hydroxyphenyl ketone,pubchem3317 PubChem CID: 123504 IUPAC Name: 4-(4-chlorobenzoyl)phenol SMILES: OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 123504 |
|---|---|
| CAS | 42019-78-3 |
| Molecular Weight (g/mol) | 232.66 |
| MDL Number | MFCD00002357 |
| SMILES | OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4-chloro-4'-hydroxybenzophenone,4-chlorophenyl 4-hydroxyphenyl methanone,4-hydroxy-4'-chlorobenzophenone,4-p-chlorobenzoylphenol,4-4-chlorobenzoyl phenol,4-chlorophenyl 4-hydroxyphenyl-methanone,methanone, 4-chlorophenyl 4-hydroxyphenyl,4-chlorophenyl-4-hydroxyphenyl methanone,4-chlorophenyl 4-hydroxyphenyl ketone,pubchem3317 |
| IUPAC Name | 4-(4-chlorobenzoyl)phenol |
| InChI Key | RUETVLNXAGWCDS-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO2 |
N,N-Diethyl-m-toluamide 98.0+%, TCI America™
CAS: 134-62-3 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD00009046 InChI Key: MMOXZBCLCQITDF-UHFFFAOYSA-N Synonym: deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan PubChem CID: 4284 ChEBI: CHEBI:7071 IUPAC Name: N,N-diethyl-3-methylbenzamide SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)C
| PubChem CID | 4284 |
|---|---|
| CAS | 134-62-3 |
| Molecular Weight (g/mol) | 191.274 |
| ChEBI | CHEBI:7071 |
| MDL Number | MFCD00009046 |
| SMILES | CCN(CC)C(=O)C1=CC(=CC=C1)C |
| Synonym | deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan |
| IUPAC Name | N,N-diethyl-3-methylbenzamide |
| InChI Key | MMOXZBCLCQITDF-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |
m-Xylylenediamine 99.0+%, TCI America™
CAS: 1477-55-0 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.198 MDL Number: MFCD00008119 InChI Key: FDLQZKYLHJJBHD-UHFFFAOYSA-N Synonym: m-xylylenediamine,1,3-benzenedimethanamine,1,3-bis aminomethyl benzene,1,3-xylylenediamine,1,3-phenylenedimethanamine,m-xylylendiamin,1,3-xylenediamine,mxda,m-phenylenebis methylamine,methylamine, m-phenylenebis PubChem CID: 15133 IUPAC Name: [3-(aminomethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)CN)CN
| PubChem CID | 15133 |
|---|---|
| CAS | 1477-55-0 |
| Molecular Weight (g/mol) | 136.198 |
| MDL Number | MFCD00008119 |
| SMILES | C1=CC(=CC(=C1)CN)CN |
| Synonym | m-xylylenediamine,1,3-benzenedimethanamine,1,3-bis aminomethyl benzene,1,3-xylylenediamine,1,3-phenylenedimethanamine,m-xylylendiamin,1,3-xylenediamine,mxda,m-phenylenebis methylamine,methylamine, m-phenylenebis |
| IUPAC Name | [3-(aminomethyl)phenyl]methanamine |
| InChI Key | FDLQZKYLHJJBHD-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2 |
1,4-Dibenzyloxybenzene 98.0+%, TCI America™
CAS: 621-91-0 Molecular Formula: C20H18O2 Molecular Weight (g/mol): 290.36 MDL Number: MFCD00016875 InChI Key: DYULYMCXVSRUPB-UHFFFAOYSA-N Synonym: 1,4-dibenzyloxybenzene,1,4-bis benzyloxy benzene,hydroquinone dibenzyl ether,benzene, 1,4-bis phenylmethoxy,1,4-bis phenylmethoxy benzene,p-dibenzyloxybenzene,hydrochinon-dibenzylather,1,4-di benzyloxy benzene,acmc-209n0i,ksc493o6b PubChem CID: 69315 IUPAC Name: 1,4-bis(benzyloxy)benzene SMILES: C(OC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=CC=CC=C1
| PubChem CID | 69315 |
|---|---|
| CAS | 621-91-0 |
| Molecular Weight (g/mol) | 290.36 |
| MDL Number | MFCD00016875 |
| SMILES | C(OC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=CC=CC=C1 |
| Synonym | 1,4-dibenzyloxybenzene,1,4-bis benzyloxy benzene,hydroquinone dibenzyl ether,benzene, 1,4-bis phenylmethoxy,1,4-bis phenylmethoxy benzene,p-dibenzyloxybenzene,hydrochinon-dibenzylather,1,4-di benzyloxy benzene,acmc-209n0i,ksc493o6b |
| IUPAC Name | 1,4-bis(benzyloxy)benzene |
| InChI Key | DYULYMCXVSRUPB-UHFFFAOYSA-N |
| Molecular Formula | C20H18O2 |
N,N-Dibenzyl-2-aminoethanol 98.0+%, TCI America™
CAS: 101-06-4 Molecular Formula: C16H19NO Molecular Weight (g/mol): 241.334 MDL Number: MFCD00020574 InChI Key: WTTWSMJHJFNCQB-UHFFFAOYSA-N Synonym: N,N-Dibenzylethanolamine, N-(2-Hydroxyethyl)dibenzylamine PubChem CID: 22657 IUPAC Name: 2-(dibenzylamino)ethanol SMILES: C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=C2
| PubChem CID | 22657 |
|---|---|
| CAS | 101-06-4 |
| Molecular Weight (g/mol) | 241.334 |
| MDL Number | MFCD00020574 |
| SMILES | C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=C2 |
| Synonym | N,N-Dibenzylethanolamine, N-(2-Hydroxyethyl)dibenzylamine |
| IUPAC Name | 2-(dibenzylamino)ethanol |
| InChI Key | WTTWSMJHJFNCQB-UHFFFAOYSA-N |
| Molecular Formula | C16H19NO |
Diphenylacetonitrile 99.0+%, TCI America™
CAS: 86-29-3 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00001862 InChI Key: NEBPTMCRLHKPOB-UHFFFAOYSA-N Synonym: diphenylacetonitrile,dipan,diphenatrile,benzhydrylcyanide,diphenylmethylcyanide,benzyhydrylcyanide,acetonitrile, diphenyl,benzeneacetonitrile, alpha-phenyl,usaf kf-13,difenylacetonitril PubChem CID: 6837 IUPAC Name: 2,2-diphenylacetonitrile SMILES: C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2
| PubChem CID | 6837 |
|---|---|
| CAS | 86-29-3 |
| Molecular Weight (g/mol) | 193.249 |
| MDL Number | MFCD00001862 |
| SMILES | C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2 |
| Synonym | diphenylacetonitrile,dipan,diphenatrile,benzhydrylcyanide,diphenylmethylcyanide,benzyhydrylcyanide,acetonitrile, diphenyl,benzeneacetonitrile, alpha-phenyl,usaf kf-13,difenylacetonitril |
| IUPAC Name | 2,2-diphenylacetonitrile |
| InChI Key | NEBPTMCRLHKPOB-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
2,4-Dichlorobenzophenone 97.0+%, TCI America™
CAS: 19811-05-3 Molecular Formula: C13H8Cl2O Molecular Weight (g/mol): 251.11 MDL Number: MFCD00018374 InChI Key: VLTYTTRXESKBKI-UHFFFAOYSA-N PubChem CID: 72867 IUPAC Name: (2,4-dichlorophenyl)(phenyl)methanone SMILES: ClC1=CC=C(C(=O)C2=CC=CC=C2)C(Cl)=C1
| PubChem CID | 72867 |
|---|---|
| CAS | 19811-05-3 |
| Molecular Weight (g/mol) | 251.11 |
| MDL Number | MFCD00018374 |
| SMILES | ClC1=CC=C(C(=O)C2=CC=CC=C2)C(Cl)=C1 |
| IUPAC Name | (2,4-dichlorophenyl)(phenyl)methanone |
| InChI Key | VLTYTTRXESKBKI-UHFFFAOYSA-N |
| Molecular Formula | C13H8Cl2O |
2,4-Dichlorophenoxyacetic Acid 97.0+%, TCI America™
CAS: 94-75-7 Molecular Formula: C8H6Cl2O3 Molecular Weight (g/mol): 221.033 MDL Number: MFCD00004300 InChI Key: OVSKIKFHRZPJSS-UHFFFAOYSA-N Synonym: 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon PubChem CID: 1486 ChEBI: CHEBI:28854 IUPAC Name: 2-(2,4-dichlorophenoxy)acetic acid SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
| PubChem CID | 1486 |
|---|---|
| CAS | 94-75-7 |
| Molecular Weight (g/mol) | 221.033 |
| ChEBI | CHEBI:28854 |
| MDL Number | MFCD00004300 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCC(=O)O |
| Synonym | 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon |
| IUPAC Name | 2-(2,4-dichlorophenoxy)acetic acid |
| InChI Key | OVSKIKFHRZPJSS-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O3 |
(Difluoromethoxy)benzene 98.0+%, TCI America™
CAS: 458-92-4 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.12 MDL Number: MFCD00068184 InChI Key: LMVBQQAXGZVBFH-UHFFFAOYSA-N Synonym: alpha,alpha-Difluoroanisole PubChem CID: 68015 IUPAC Name: (difluoromethoxy)benzene SMILES: FC(F)OC1=CC=CC=C1
| PubChem CID | 68015 |
|---|---|
| CAS | 458-92-4 |
| Molecular Weight (g/mol) | 144.12 |
| MDL Number | MFCD00068184 |
| SMILES | FC(F)OC1=CC=CC=C1 |
| Synonym | alpha,alpha-Difluoroanisole |
| IUPAC Name | (difluoromethoxy)benzene |
| InChI Key | LMVBQQAXGZVBFH-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2O |
Sodium 2,4-Dimethylbenzenesulfonate Monohydrate 98.0+%, TCI America™
CAS: 142063-30-7 Molecular Formula: C8H11NaO4S Molecular Weight (g/mol): 226.222 MDL Number: MFCD00041883 InChI Key: LAOKFSDVOMOLJF-UHFFFAOYSA-M Synonym: 2,4-Dimethylbenzenesulfonic Acid Sodium Salt, Sodium m-Xylene-4-sulfonate, m-Xylene-4-sulfonic Acid Sodium Salt PubChem CID: 70700101 IUPAC Name: sodium;2,4-dimethylbenzenesulfonate;hydrate SMILES: CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.O.[Na+]
| PubChem CID | 70700101 |
|---|---|
| CAS | 142063-30-7 |
| Molecular Weight (g/mol) | 226.222 |
| MDL Number | MFCD00041883 |
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.O.[Na+] |
| Synonym | 2,4-Dimethylbenzenesulfonic Acid Sodium Salt, Sodium m-Xylene-4-sulfonate, m-Xylene-4-sulfonic Acid Sodium Salt |
| IUPAC Name | sodium;2,4-dimethylbenzenesulfonate;hydrate |
| InChI Key | LAOKFSDVOMOLJF-UHFFFAOYSA-M |
| Molecular Formula | C8H11NaO4S |
Phenoxybenzamine Hydrochloride 98.0+%, TCI America™
CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.288 MDL Number: MFCD00055152 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYSA-N Synonym: phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine PubChem CID: 5284441 ChEBI: CHEBI:8078 IUPAC Name: N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride SMILES: CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl
| PubChem CID | 5284441 |
|---|---|
| CAS | 63-92-3 |
| Molecular Weight (g/mol) | 340.288 |
| ChEBI | CHEBI:8078 |
| MDL Number | MFCD00055152 |
| SMILES | CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl |
| Synonym | phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine |
| IUPAC Name | N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride |
| InChI Key | VBCPVIWPDJVHAN-UHFFFAOYSA-N |
| Molecular Formula | C18H23Cl2NO |
(2,4-Difluorophenyl)thiourea 98.0+%, TCI America™
CAS: 175277-76-6 Molecular Formula: C7H6F2N2S Molecular Weight (g/mol): 188.196 MDL Number: MFCD00041150 InChI Key: DZZSKQFBAGZNSH-UHFFFAOYSA-N Synonym: 2,4-difluorophenyl thiourea,1-2,4-difluorophenyl thiourea,1-2,4-difluorophenyl-2-thiourea,n-2,4-difluorophenyl thiourea,thiourea,n-2,4-difluorophenyl,amino 2,4-difluorophenyl amino methane-1-thione,acmc-1bxvl,buttpark 12118-31,difluorophenylthioacetonitrile,2,4-difluoro-phenyl-thiourea PubChem CID: 2734207 IUPAC Name: (2,4-difluorophenyl)thiourea SMILES: C1=CC(=C(C=C1F)F)NC(=S)N
| PubChem CID | 2734207 |
|---|---|
| CAS | 175277-76-6 |
| Molecular Weight (g/mol) | 188.196 |
| MDL Number | MFCD00041150 |
| SMILES | C1=CC(=C(C=C1F)F)NC(=S)N |
| Synonym | 2,4-difluorophenyl thiourea,1-2,4-difluorophenyl thiourea,1-2,4-difluorophenyl-2-thiourea,n-2,4-difluorophenyl thiourea,thiourea,n-2,4-difluorophenyl,amino 2,4-difluorophenyl amino methane-1-thione,acmc-1bxvl,buttpark 12118-31,difluorophenylthioacetonitrile,2,4-difluoro-phenyl-thiourea |
| IUPAC Name | (2,4-difluorophenyl)thiourea |
| InChI Key | DZZSKQFBAGZNSH-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2N2S |
2,4-Dichloro-N-methylbenzylamine 98.0+%, TCI America™
CAS: 5013-77-4 Molecular Formula: C8H9Cl2N Molecular Weight (g/mol): 190.067 MDL Number: MFCD00045185 InChI Key: GUJXWKXDISDARD-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzyl methylamine,n-methyl-2,4-dichlorobenzylamine,benzenemethanamine, 2,4-dichloro-n-methyl,2,4-dichlorophenyl methyl methyl amine,2,4-dichloro-n-methylbenzylamine,1-2,4-dichlorophenyl-n-methylmethanamine,2,4-dichlorophenyl-n-methylmethanamine,n-2,4-dichlorobenzyl-n-methylamine,1-2,4-dichlorophenyl-n-methyl-methanamine,2,4-dichlorobenzyl methyl amine PubChem CID: 485424 IUPAC Name: 1-(2,4-dichlorophenyl)-N-methylmethanamine SMILES: CNCC1=C(C=C(C=C1)Cl)Cl
| PubChem CID | 485424 |
|---|---|
| CAS | 5013-77-4 |
| Molecular Weight (g/mol) | 190.067 |
| MDL Number | MFCD00045185 |
| SMILES | CNCC1=C(C=C(C=C1)Cl)Cl |
| Synonym | 2,4-dichlorobenzyl methylamine,n-methyl-2,4-dichlorobenzylamine,benzenemethanamine, 2,4-dichloro-n-methyl,2,4-dichlorophenyl methyl methyl amine,2,4-dichloro-n-methylbenzylamine,1-2,4-dichlorophenyl-n-methylmethanamine,2,4-dichlorophenyl-n-methylmethanamine,n-2,4-dichlorobenzyl-n-methylamine,1-2,4-dichlorophenyl-n-methyl-methanamine,2,4-dichlorobenzyl methyl amine |
| IUPAC Name | 1-(2,4-dichlorophenyl)-N-methylmethanamine |
| InChI Key | GUJXWKXDISDARD-UHFFFAOYSA-N |
| Molecular Formula | C8H9Cl2N |
2,3-Dimethoxybenzoic Acid 98.0+%, TCI America™
CAS: 1521-38-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002432 InChI Key: FODBVCSYJKNBLO-UHFFFAOYSA-N Synonym: o-veratric acid,benzoic acid, 2,3-dimethoxy,benzoic acid, dimethoxy,2,3-dimethoxy benzoic acid,dimethoxybenzoic acid,2,3,o-veratric acid 6ci,7ci,8ci,2,3-dimethoxybenzoicacid,dimethoxybenzoic acid,pubchem4948,2,3-dimethoxy-benzoicaci PubChem CID: 15204 IUPAC Name: 2,3-dimethoxybenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1OC
| PubChem CID | 15204 |
|---|---|
| CAS | 1521-38-6 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002432 |
| SMILES | COC1=CC=CC(C(O)=O)=C1OC |
| Synonym | o-veratric acid,benzoic acid, 2,3-dimethoxy,benzoic acid, dimethoxy,2,3-dimethoxy benzoic acid,dimethoxybenzoic acid,2,3,o-veratric acid 6ci,7ci,8ci,2,3-dimethoxybenzoicacid,dimethoxybenzoic acid,pubchem4948,2,3-dimethoxy-benzoicaci |
| IUPAC Name | 2,3-dimethoxybenzoic acid |
| InChI Key | FODBVCSYJKNBLO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
2,2'-Dihydroxy-4,4'-dimethoxybenzophenone 90.0+%, TCI America™
CAS: 131-54-4 Molecular Formula: C15H14O5 Molecular Weight (g/mol): 274.272 MDL Number: MFCD00009606 InChI Key: SODJJEXAWOSSON-UHFFFAOYSA-N Synonym: 2,2'-dihydroxy-4,4'-dimethoxybenzophenone,bis 2-hydroxy-4-methoxyphenyl methanone,benzophenone-6,cyasorb uv 12,methanone, bis 2-hydroxy-4-methoxyphenyl,uvinul d 49,caswell no. 353c,unii-7813j9cs1g,2,2-dihydroxy-4,4-dimethoxybenzophenone,4,4'-dimethoxy-2,2'-dihydroxybenzophenone PubChem CID: 8570 IUPAC Name: bis(2-hydroxy-4-methoxyphenyl)methanone SMILES: COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O)O
| PubChem CID | 8570 |
|---|---|
| CAS | 131-54-4 |
| Molecular Weight (g/mol) | 274.272 |
| MDL Number | MFCD00009606 |
| SMILES | COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O)O |
| Synonym | 2,2'-dihydroxy-4,4'-dimethoxybenzophenone,bis 2-hydroxy-4-methoxyphenyl methanone,benzophenone-6,cyasorb uv 12,methanone, bis 2-hydroxy-4-methoxyphenyl,uvinul d 49,caswell no. 353c,unii-7813j9cs1g,2,2-dihydroxy-4,4-dimethoxybenzophenone,4,4'-dimethoxy-2,2'-dihydroxybenzophenone |
| IUPAC Name | bis(2-hydroxy-4-methoxyphenyl)methanone |
| InChI Key | SODJJEXAWOSSON-UHFFFAOYSA-N |
| Molecular Formula | C15H14O5 |