Benzene and substituted derivatives
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3',4',5-Trichlorosalicylanilide 98.0+%, TCI America™
CAS: 642-84-2 Molecular Formula: C13H8Cl3NO2 Molecular Weight (g/mol): 316.56 MDL Number: MFCD00059622 InChI Key: RSJBLPJKXGNMFW-UHFFFAOYSA-N PubChem CID: 69506 IUPAC Name: 5-chloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide SMILES: OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 69506 |
|---|---|
| CAS | 642-84-2 |
| Molecular Weight (g/mol) | 316.56 |
| MDL Number | MFCD00059622 |
| SMILES | OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(Cl)C(Cl)=C1 |
| IUPAC Name | 5-chloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide |
| InChI Key | RSJBLPJKXGNMFW-UHFFFAOYSA-N |
| Molecular Formula | C13H8Cl3NO2 |
Methoxychlor 95.0+%, TCI America™
CAS: 72-43-5 Molecular Formula: C16H15Cl3O2 Molecular Weight (g/mol): 345.644 MDL Number: MFCD00000803 InChI Key: IAKOZHOLGAGEJT-UHFFFAOYSA-N Synonym: methoxychlor,p,p'-methoxychlor,dmdt,dimethoxy-ddt,methoxy-ddt,methoxcide,metox,maralate,marlate,moxie PubChem CID: 4115 ChEBI: CHEBI:6842 IUPAC Name: 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
| PubChem CID | 4115 |
|---|---|
| CAS | 72-43-5 |
| Molecular Weight (g/mol) | 345.644 |
| ChEBI | CHEBI:6842 |
| MDL Number | MFCD00000803 |
| SMILES | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl |
| Synonym | methoxychlor,p,p'-methoxychlor,dmdt,dimethoxy-ddt,methoxy-ddt,methoxcide,metox,maralate,marlate,moxie |
| IUPAC Name | 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene |
| InChI Key | IAKOZHOLGAGEJT-UHFFFAOYSA-N |
| Molecular Formula | C16H15Cl3O2 |
Methyl 5-(Ethylsulfonyl)-2-methoxybenzoate 98.0+%, TCI America™
CAS: 62140-67-4 Molecular Formula: C11H14O5S Molecular Weight (g/mol): 258.288 MDL Number: MFCD01317547 InChI Key: UUARTHQJSZTOEM-UHFFFAOYSA-N Synonym: 5-(Ethylsulfonyl)-2-methoxybenzoic Acid Methyl Ester PubChem CID: 6454351 IUPAC Name: methyl 5-ethylsulfonyl-2-methoxybenzoate SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)OC
| PubChem CID | 6454351 |
|---|---|
| CAS | 62140-67-4 |
| Molecular Weight (g/mol) | 258.288 |
| MDL Number | MFCD01317547 |
| SMILES | CCS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)OC |
| Synonym | 5-(Ethylsulfonyl)-2-methoxybenzoic Acid Methyl Ester |
| IUPAC Name | methyl 5-ethylsulfonyl-2-methoxybenzoate |
| InChI Key | UUARTHQJSZTOEM-UHFFFAOYSA-N |
| Molecular Formula | C11H14O5S |
2,2'-Methylenebis(6-bromo-4-chlorophenol) 95.0+%, TCI America™
CAS: 15435-29-7 Molecular Formula: C13H8Br2Cl2O2 Molecular Weight (g/mol): 426.91 MDL Number: MFCD00152965 InChI Key: TYBHZVUFOINFDV-UHFFFAOYSA-N Synonym: Bis(3-bromo-5-chloro-2-hydroxyphenyl)methane, 3,3′C-Dibromo-5,5′C-dichloro-2,2′C-dihydroxydiphenylmethane, Bromochlorophen PubChem CID: 84907 IUPAC Name: 2-bromo-6-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenol SMILES: OC1=C(Br)C=C(Cl)C=C1CC1=CC(Cl)=CC(Br)=C1O
| PubChem CID | 84907 |
|---|---|
| CAS | 15435-29-7 |
| Molecular Weight (g/mol) | 426.91 |
| MDL Number | MFCD00152965 |
| SMILES | OC1=C(Br)C=C(Cl)C=C1CC1=CC(Cl)=CC(Br)=C1O |
| Synonym | Bis(3-bromo-5-chloro-2-hydroxyphenyl)methane, 3,3′C-Dibromo-5,5′C-dichloro-2,2′C-dihydroxydiphenylmethane, Bromochlorophen |
| IUPAC Name | 2-bromo-6-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenol |
| InChI Key | TYBHZVUFOINFDV-UHFFFAOYSA-N |
| Molecular Formula | C13H8Br2Cl2O2 |
Methyl 2,5-Dihydroxybenzoate 98.0+%, TCI America™
CAS: 2150-46-1 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016464 InChI Key: XGDPKUKRQHHZTH-UHFFFAOYSA-N Synonym: methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 PubChem CID: 75077 IUPAC Name: methyl 2,5-dihydroxybenzoate SMILES: COC(=O)C1=CC(O)=CC=C1O
| PubChem CID | 75077 |
|---|---|
| CAS | 2150-46-1 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00016464 |
| SMILES | COC(=O)C1=CC(O)=CC=C1O |
| Synonym | methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 |
| IUPAC Name | methyl 2,5-dihydroxybenzoate |
| InChI Key | XGDPKUKRQHHZTH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
2-Methylbenzylamine 98.0+%, TCI America™
CAS: 89-93-0 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.183 MDL Number: MFCD00008112 InChI Key: CJAAPVQEZPAQNI-UHFFFAOYSA-N Synonym: 2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine PubChem CID: 6993 IUPAC Name: (2-methylphenyl)methanamine SMILES: CC1=CC=CC=C1CN
| PubChem CID | 6993 |
|---|---|
| CAS | 89-93-0 |
| Molecular Weight (g/mol) | 121.183 |
| MDL Number | MFCD00008112 |
| SMILES | CC1=CC=CC=C1CN |
| Synonym | 2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine |
| IUPAC Name | (2-methylphenyl)methanamine |
| InChI Key | CJAAPVQEZPAQNI-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
Ethyl o-Toluate 98.0+%, TCI America™
CAS: 87-24-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009112 InChI Key: SOUAXOGPALPTTC-UHFFFAOYSA-N Synonym: ethyl o-toluate,ethyl o-methylbenzoate,ethyl orthotoluate,2-methylbenzoic acid ethyl ester,benzoic acid, 2-methyl-, ethyl ester,ethyl-o-toluate,2-methyl-benzoic acid ethyl ester,o-toluic acid ethyl ester,ethyl-2-methylbenzoate,ethylo-toluate PubChem CID: 66598 IUPAC Name: ethyl 2-methylbenzoate SMILES: CCOC(=O)C1=CC=CC=C1C
| PubChem CID | 66598 |
|---|---|
| CAS | 87-24-1 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00009112 |
| SMILES | CCOC(=O)C1=CC=CC=C1C |
| Synonym | ethyl o-toluate,ethyl o-methylbenzoate,ethyl orthotoluate,2-methylbenzoic acid ethyl ester,benzoic acid, 2-methyl-, ethyl ester,ethyl-o-toluate,2-methyl-benzoic acid ethyl ester,o-toluic acid ethyl ester,ethyl-2-methylbenzoate,ethylo-toluate |
| IUPAC Name | ethyl 2-methylbenzoate |
| InChI Key | SOUAXOGPALPTTC-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
2-Methylbenzhydrol 98.0+%, TCI America™
CAS: 5472-13-9 Molecular Formula: C14H14O Molecular Weight (g/mol): 198.265 MDL Number: MFCD00004490 InChI Key: MXHXXJOHFRHBFB-UHFFFAOYSA-N Synonym: 2-methylbenzhydrol,phenyl o-tolyl methanol,benzhydrol, 2-methyl,2-methylphenyl phenylmethanol,o-methylbenzhydrol,phenyl-o-tolyl-methanol,2-methylphenyl-phenylmethanol,benzenemethanol, 2-methyl-.alpha.-phenyl,2-methylphenyl phenyl methanol,phenyl-o-tolylcarbinol PubChem CID: 95659 IUPAC Name: (2-methylphenyl)-phenylmethanol SMILES: CC1=CC=CC=C1C(C2=CC=CC=C2)O
| PubChem CID | 95659 |
|---|---|
| CAS | 5472-13-9 |
| Molecular Weight (g/mol) | 198.265 |
| MDL Number | MFCD00004490 |
| SMILES | CC1=CC=CC=C1C(C2=CC=CC=C2)O |
| Synonym | 2-methylbenzhydrol,phenyl o-tolyl methanol,benzhydrol, 2-methyl,2-methylphenyl phenylmethanol,o-methylbenzhydrol,phenyl-o-tolyl-methanol,2-methylphenyl-phenylmethanol,benzenemethanol, 2-methyl-.alpha.-phenyl,2-methylphenyl phenyl methanol,phenyl-o-tolylcarbinol |
| IUPAC Name | (2-methylphenyl)-phenylmethanol |
| InChI Key | MXHXXJOHFRHBFB-UHFFFAOYSA-N |
| Molecular Formula | C14H14O |
3-Methylbenzylamine 97.0+%, TCI America™
CAS: 100-81-2 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.183 MDL Number: MFCD00008118 InChI Key: RGXUCUWVGKLACF-UHFFFAOYSA-N Synonym: 3-methylbenzylamine,m-tolylmethanamine,3-methylphenyl methanamine,benzenemethanamine, 3-methyl,m-methylbenzylamine,1-3-methylphenyl methanamine,3-methylbenzyl amine,alpha-amino-m-xylene,benzylamine, m-methyl,m-xylylamine PubChem CID: 66015 IUPAC Name: (3-methylphenyl)methanamine SMILES: CC1=CC(=CC=C1)CN
| PubChem CID | 66015 |
|---|---|
| CAS | 100-81-2 |
| Molecular Weight (g/mol) | 121.183 |
| MDL Number | MFCD00008118 |
| SMILES | CC1=CC(=CC=C1)CN |
| Synonym | 3-methylbenzylamine,m-tolylmethanamine,3-methylphenyl methanamine,benzenemethanamine, 3-methyl,m-methylbenzylamine,1-3-methylphenyl methanamine,3-methylbenzyl amine,alpha-amino-m-xylene,benzylamine, m-methyl,m-xylylamine |
| IUPAC Name | (3-methylphenyl)methanamine |
| InChI Key | RGXUCUWVGKLACF-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
4-Chlorobenzamide 98.0+%, TCI America™
CAS: 619-56-7 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.58 MDL Number: MFCD00007993 InChI Key: BLNVISNJTIRAHF-UHFFFAOYSA-N Synonym: p-chlorobenzamide,benzamide, 4-chloro,4-chloro-benzamide,p-chlorobenzoic acid amide,benzamide, p-chloro,unii-260cv6k0mr,benzamide, p-chloro-6ci,7ci,8ci,4-chloranylbenzamide,pubchem3619,4-chlorobenzenecarboxamide PubChem CID: 12084 IUPAC Name: 4-chlorobenzamide SMILES: NC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 12084 |
|---|---|
| CAS | 619-56-7 |
| Molecular Weight (g/mol) | 155.58 |
| MDL Number | MFCD00007993 |
| SMILES | NC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | p-chlorobenzamide,benzamide, 4-chloro,4-chloro-benzamide,p-chlorobenzoic acid amide,benzamide, p-chloro,unii-260cv6k0mr,benzamide, p-chloro-6ci,7ci,8ci,4-chloranylbenzamide,pubchem3619,4-chlorobenzenecarboxamide |
| IUPAC Name | 4-chlorobenzamide |
| InChI Key | BLNVISNJTIRAHF-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO |
2-Chlorobenzoic Acid 98.0+%, TCI America™
CAS: 118-91-2 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002412 InChI Key: IKCLCGXPQILATA-UHFFFAOYSA-N Synonym: o-chlorobenzoic acid,benzoic acid, o-chloro,benzoic acid, 2-chloro,2-cba,kyselina o-chlorbenzoova,chlorobenzoic acid,ocba,benzoic acid, chloro,2-chloro-benzoic acid,chlorobenzoate PubChem CID: 8374 ChEBI: CHEBI:30793 IUPAC Name: 2-chlorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Cl
| PubChem CID | 8374 |
|---|---|
| CAS | 118-91-2 |
| Molecular Weight (g/mol) | 156.565 |
| ChEBI | CHEBI:30793 |
| MDL Number | MFCD00002412 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)Cl |
| Synonym | o-chlorobenzoic acid,benzoic acid, o-chloro,benzoic acid, 2-chloro,2-cba,kyselina o-chlorbenzoova,chlorobenzoic acid,ocba,benzoic acid, chloro,2-chloro-benzoic acid,chlorobenzoate |
| IUPAC Name | 2-chlorobenzoic acid |
| InChI Key | IKCLCGXPQILATA-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
2-Chloro-4-nitrobenzoyl Chloride 98.0+%, TCI America™
CAS: 7073-36-1 Molecular Formula: C7H3Cl2NO3 Molecular Weight (g/mol): 220.01 MDL Number: MFCD00051515 InChI Key: KTHNITVDTYAHFF-UHFFFAOYSA-N Synonym: benzoyl chloride, 2-chloro-4-nitro,benzoyl chloride,2-chloro-4-nitro,acmc-209ofu,2-chloro-4-nitro-benzoyl chloride PubChem CID: 81522 IUPAC Name: 2-chloro-4-nitrobenzoyl chloride SMILES: [O-][N+](=O)C1=CC=C(C(Cl)=O)C(Cl)=C1
| PubChem CID | 81522 |
|---|---|
| CAS | 7073-36-1 |
| Molecular Weight (g/mol) | 220.01 |
| MDL Number | MFCD00051515 |
| SMILES | [O-][N+](=O)C1=CC=C(C(Cl)=O)C(Cl)=C1 |
| Synonym | benzoyl chloride, 2-chloro-4-nitro,benzoyl chloride,2-chloro-4-nitro,acmc-209ofu,2-chloro-4-nitro-benzoyl chloride |
| IUPAC Name | 2-chloro-4-nitrobenzoyl chloride |
| InChI Key | KTHNITVDTYAHFF-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2NO3 |
4-Chloro-2-nitrotoluene, TCI America™
CAS: 89-59-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007215 InChI Key: SQFLFRQWPBEDHM-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrotoluene,2-nitro-4-chlorotoluene,benzene, 4-chloro-1-methyl-2-nitro,4,2-chloronitrotoluene,p-chloro-o-nitrotoluene,toluene, 4-chloro-2-nitro,4-chloro-1-methyl-2-nitro-benzene,ccris 3116,4-chlor-2-nitrotoluol,pubchem18919 PubChem CID: 6975 IUPAC Name: 4-chloro-1-methyl-2-nitrobenzene SMILES: CC1=CC=C(Cl)C=C1[N+]([O-])=O
| PubChem CID | 6975 |
|---|---|
| CAS | 89-59-8 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007215 |
| SMILES | CC1=CC=C(Cl)C=C1[N+]([O-])=O |
| Synonym | 4-chloro-2-nitrotoluene,2-nitro-4-chlorotoluene,benzene, 4-chloro-1-methyl-2-nitro,4,2-chloronitrotoluene,p-chloro-o-nitrotoluene,toluene, 4-chloro-2-nitro,4-chloro-1-methyl-2-nitro-benzene,ccris 3116,4-chlor-2-nitrotoluol,pubchem18919 |
| IUPAC Name | 4-chloro-1-methyl-2-nitrobenzene |
| InChI Key | SQFLFRQWPBEDHM-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
Hydridotetrakis(triphenylphosphine)rhodium(I), TCI America™
CAS: 18284-36-1 Molecular Formula: C72H61P4Rh Molecular Weight (g/mol): 1153.08 MDL Number: MFCD00015867 InChI Key: QTTJMGBPWXLZKV-UHFFFAOYSA-N Synonym: hrh pph3 4,hydridotetrakis triphenylphosphine rhodium i,tetrakis triphenylphosphine rhodium hydride,tetrakis triphenylphosphine rhodium,tetrakis triphenylphosphine rhodium i hydride,molecular weight:456.19,molecular formula:c16h26o2rh2,cas number:73468-85-6,rhodium, tetrakis triphenylphosphine,hydridotetrakis triphenylphosphine rhodium PubChem CID: 11981874 IUPAC Name: tetrakis(triphenylphosphane) λ¹-rhodium SMILES: [RhH].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11981874 |
|---|---|
| CAS | 18284-36-1 |
| Molecular Weight (g/mol) | 1153.08 |
| MDL Number | MFCD00015867 |
| SMILES | [RhH].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | hrh pph3 4,hydridotetrakis triphenylphosphine rhodium i,tetrakis triphenylphosphine rhodium hydride,tetrakis triphenylphosphine rhodium,tetrakis triphenylphosphine rhodium i hydride,molecular weight:456.19,molecular formula:c16h26o2rh2,cas number:73468-85-6,rhodium, tetrakis triphenylphosphine,hydridotetrakis triphenylphosphine rhodium |
| IUPAC Name | tetrakis(triphenylphosphane) λ¹-rhodium |
| InChI Key | QTTJMGBPWXLZKV-UHFFFAOYSA-N |
| Molecular Formula | C72H61P4Rh |
4-Isopropoxyaniline 98.0+%, TCI America™
CAS: 7664-66-6 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00059188 InChI Key: MLNFMFAMNBGAQT-UHFFFAOYSA-N PubChem CID: 82112 IUPAC Name: 4-propan-2-yloxyaniline SMILES: CC(C)OC1=CC=C(C=C1)N
| PubChem CID | 82112 |
|---|---|
| CAS | 7664-66-6 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00059188 |
| SMILES | CC(C)OC1=CC=C(C=C1)N |
| IUPAC Name | 4-propan-2-yloxyaniline |
| InChI Key | MLNFMFAMNBGAQT-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |