Benzene and substituted derivatives
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4-Chlorophenyl phosphorodichloridate, 98+%
CAS: 772-79-2 Molecular Formula: C6H4Cl3O2P Molecular Weight (g/mol): 245.42 MDL Number: MFCD00009705 InChI Key: CCZMQYGSXWZFKI-UHFFFAOYSA-N Synonym: 4-chlorophenyl phosphorodichloridate,p-chlorophenyl dichlorophosphate,4-chlorophenyl dichlorophosphate,4-chlorophenylphosphorodichloridate,phosphorodichloridic acid, 4-chlorophenyl ester,4-chlorophenylphosphoryl dichloride,acmc-1bjgo,cczmqygsxwzfki-uhfffaoysa,4-chlorophenyl dichlorophosphinate,4-chlorophenyl dichloridophosphate # PubChem CID: 69879 IUPAC Name: 1-chloro-4-dichlorophosphoryloxybenzene SMILES: C1=CC(=CC=C1OP(=O)(Cl)Cl)Cl
| PubChem CID | 69879 |
|---|---|
| CAS | 772-79-2 |
| Molecular Weight (g/mol) | 245.42 |
| MDL Number | MFCD00009705 |
| SMILES | C1=CC(=CC=C1OP(=O)(Cl)Cl)Cl |
| Synonym | 4-chlorophenyl phosphorodichloridate,p-chlorophenyl dichlorophosphate,4-chlorophenyl dichlorophosphate,4-chlorophenylphosphorodichloridate,phosphorodichloridic acid, 4-chlorophenyl ester,4-chlorophenylphosphoryl dichloride,acmc-1bjgo,cczmqygsxwzfki-uhfffaoysa,4-chlorophenyl dichlorophosphinate,4-chlorophenyl dichloridophosphate # |
| IUPAC Name | 1-chloro-4-dichlorophosphoryloxybenzene |
| InChI Key | CCZMQYGSXWZFKI-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl3O2P |
4-Bromobenzeneboronic acid neopentyl glycol ester, 98+%
CAS: 183677-71-6 Molecular Formula: C11H14BBrO2 Molecular Weight (g/mol): 268.945 MDL Number: MFCD01318105 InChI Key: GUASPWAWPYERCR-UHFFFAOYSA-N Synonym: 2-4-bromophenyl-5,5-dimethyl-1,3,2-dioxaborinane,4-bromobenzeneboronic acid neopentyl glycol ester,4-bromophenylboronic acid neopentyl glycol ester,amtb980,2-4-bromophenyl-5,5-dimethyl-2-bora-1,3-dioxane,4-bromophenylboronic acid neopentyl glycol cyclic ester PubChem CID: 10400865 IUPAC Name: 2-(4-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane SMILES: B1(OCC(CO1)(C)C)C2=CC=C(C=C2)Br
| PubChem CID | 10400865 |
|---|---|
| CAS | 183677-71-6 |
| Molecular Weight (g/mol) | 268.945 |
| MDL Number | MFCD01318105 |
| SMILES | B1(OCC(CO1)(C)C)C2=CC=C(C=C2)Br |
| Synonym | 2-4-bromophenyl-5,5-dimethyl-1,3,2-dioxaborinane,4-bromobenzeneboronic acid neopentyl glycol ester,4-bromophenylboronic acid neopentyl glycol ester,amtb980,2-4-bromophenyl-5,5-dimethyl-2-bora-1,3-dioxane,4-bromophenylboronic acid neopentyl glycol cyclic ester |
| IUPAC Name | 2-(4-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane |
| InChI Key | GUASPWAWPYERCR-UHFFFAOYSA-N |
| Molecular Formula | C11H14BBrO2 |
2-(3-Bromophenoxy)pyridine, 97%, Thermo Scientific™
CAS: 92545-83-0 Molecular Formula: C11H8BrNO Molecular Weight (g/mol): 250.10 MDL Number: MFCD08741430 InChI Key: CXEIVVAAUANDIA-UHFFFAOYSA-N Synonym: 2-3-bromophenoxy pyridine,2-3-bromophenoxyl pyridine,pyridine, 2-3-bromophenoxy,3-bromophenyl pyridin-2-yl ether,3-bromo-1-2-pyridyloxy benzene,1-bromo-3-pyridin-2-yl oxy benzene PubChem CID: 21616612 IUPAC Name: 2-(3-bromophenoxy)pyridine SMILES: BrC1=CC=CC(OC2=CC=CC=N2)=C1
| PubChem CID | 21616612 |
|---|---|
| CAS | 92545-83-0 |
| Molecular Weight (g/mol) | 250.10 |
| MDL Number | MFCD08741430 |
| SMILES | BrC1=CC=CC(OC2=CC=CC=N2)=C1 |
| Synonym | 2-3-bromophenoxy pyridine,2-3-bromophenoxyl pyridine,pyridine, 2-3-bromophenoxy,3-bromophenyl pyridin-2-yl ether,3-bromo-1-2-pyridyloxy benzene,1-bromo-3-pyridin-2-yl oxy benzene |
| IUPAC Name | 2-(3-bromophenoxy)pyridine |
| InChI Key | CXEIVVAAUANDIA-UHFFFAOYSA-N |
| Molecular Formula | C11H8BrNO |
3,5-Dibromo-o-phenylenediamine monohydrochloride, 99%, Thermo Scientific™
CAS: 75568-11-5 Molecular Formula: C6H6Br2N2·HCl Molecular Weight (g/mol): 302.4 MDL Number: MFCD00012967 InChI Key: QOZDVKFQMGARCC-UHFFFAOYSA-N Synonym: 3,5-dibromo-1,2-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine hydrochloride,acmc-20andn,1,2-diamino-3,5-dibromobenzene monohydrochloride,3,5-bis bromanyl benzene-1,2-diamine hydrochloride,3,5-dibromo-1,2-phenylenediamine hydrochloride,1,2-benzenediamine,3,5-dibromo-, hydrochloride 1:1,3,5-dibromo-ortho-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine-hydrogen chloride 1/1,3,5-dibromo-1,2-phenylenediaminemonohydrochloride sensitivereagentforthedeterminationofsebygc-ecd PubChem CID: 2724285 IUPAC Name: 3,5-dibromobenzene-1,2-diamine;hydrochloride SMILES: C1=C(C=C(C(=C1Br)N)N)Br.Cl
| PubChem CID | 2724285 |
|---|---|
| CAS | 75568-11-5 |
| Molecular Weight (g/mol) | 302.4 |
| MDL Number | MFCD00012967 |
| SMILES | C1=C(C=C(C(=C1Br)N)N)Br.Cl |
| Synonym | 3,5-dibromo-1,2-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine hydrochloride,acmc-20andn,1,2-diamino-3,5-dibromobenzene monohydrochloride,3,5-bis bromanyl benzene-1,2-diamine hydrochloride,3,5-dibromo-1,2-phenylenediamine hydrochloride,1,2-benzenediamine,3,5-dibromo-, hydrochloride 1:1,3,5-dibromo-ortho-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine-hydrogen chloride 1/1,3,5-dibromo-1,2-phenylenediaminemonohydrochloride sensitivereagentforthedeterminationofsebygc-ecd |
| IUPAC Name | 3,5-dibromobenzene-1,2-diamine;hydrochloride |
| InChI Key | QOZDVKFQMGARCC-UHFFFAOYSA-N |
| Molecular Formula | C6H6Br2N2·HCl |
3-(Aminomethyl)benzoic acid hydrochloride, 95%, Thermo Scientific Chemicals
CAS: 876-03-9 Molecular Formula: C8H10ClNO2 Molecular Weight (g/mol): 187.623 MDL Number: MFCD03791117 InChI Key: SJCCOASSOPUHEN-UHFFFAOYSA-N Synonym: 3-aminomethyl benzoic acid hydrochloride,3-aminomethylbenzoic acid hydrochloride,3-aminomethylbenzoic acid hcl,3-aminomethyl-benzoic acid hydrochloride,acmc-209tzp,3-aminomethyl benzoic acid hcl,3-carboxybenzylamine hydrochloride,3-aminomethyl-benzoic acid hcl salt,3-aminomethyl benzoic acid, chloride,3-aminomethyl benzoicacid hydrochloride PubChem CID: 16218772 IUPAC Name: 3-(aminomethyl)benzoic acid;hydrochloride SMILES: C1=CC(=CC(=C1)CN)C(=O)O.Cl
| PubChem CID | 16218772 |
|---|---|
| CAS | 876-03-9 |
| Molecular Weight (g/mol) | 187.623 |
| MDL Number | MFCD03791117 |
| SMILES | C1=CC(=CC(=C1)CN)C(=O)O.Cl |
| Synonym | 3-aminomethyl benzoic acid hydrochloride,3-aminomethylbenzoic acid hydrochloride,3-aminomethylbenzoic acid hcl,3-aminomethyl-benzoic acid hydrochloride,acmc-209tzp,3-aminomethyl benzoic acid hcl,3-carboxybenzylamine hydrochloride,3-aminomethyl-benzoic acid hcl salt,3-aminomethyl benzoic acid, chloride,3-aminomethyl benzoicacid hydrochloride |
| IUPAC Name | 3-(aminomethyl)benzoic acid;hydrochloride |
| InChI Key | SJCCOASSOPUHEN-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO2 |
1-Bromo-3,5-dinitrobenzene, 98%
CAS: 18242-39-2 Molecular Formula: C6H3BrN2O4 Molecular Weight (g/mol): 247.004 MDL Number: MFCD00156596 InChI Key: OLDMYNWXIGPOCI-UHFFFAOYSA-N PubChem CID: 44534 IUPAC Name: 1-bromo-3,5-dinitrobenzene SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Br)[N+](=O)[O-]
| PubChem CID | 44534 |
|---|---|
| CAS | 18242-39-2 |
| Molecular Weight (g/mol) | 247.004 |
| MDL Number | MFCD00156596 |
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])Br)[N+](=O)[O-] |
| IUPAC Name | 1-bromo-3,5-dinitrobenzene |
| InChI Key | OLDMYNWXIGPOCI-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrN2O4 |
Ethyl salicylate, 99+%, Thermo Scientific Chemicals
CAS: 118-61-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002215 InChI Key: GYCKQBWUSACYIF-UHFFFAOYSA-N Synonym: ethyl salicylate,sal ethyl,mesotol,salotan,salicylic ether,salicylic acid, ethyl ester,benzoic acid, 2-hydroxy-, ethyl ester,ethyl o-hydroxybenzoate,o-ethoxycarbonyl phenol,2-hydroxybenzoic acid ethyl ester PubChem CID: 8365 IUPAC Name: ethyl 2-hydroxybenzoate SMILES: CCOC(=O)C1=CC=CC=C1O
| PubChem CID | 8365 |
|---|---|
| CAS | 118-61-6 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00002215 |
| SMILES | CCOC(=O)C1=CC=CC=C1O |
| Synonym | ethyl salicylate,sal ethyl,mesotol,salotan,salicylic ether,salicylic acid, ethyl ester,benzoic acid, 2-hydroxy-, ethyl ester,ethyl o-hydroxybenzoate,o-ethoxycarbonyl phenol,2-hydroxybenzoic acid ethyl ester |
| IUPAC Name | ethyl 2-hydroxybenzoate |
| InChI Key | GYCKQBWUSACYIF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Methyl 4-amino-2-methoxybenzoate, 98%, Thermo Scientific Chemicals
CAS: 27492-84-8 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.19 MDL Number: MFCD00017202 InChI Key: YUPQMVSYNJQULF-UHFFFAOYSA-N Synonym: methyl 4-amino-o-anisate,4-amino-2-methoxybenzoic acid methyl ester,benzoic acid, 4-amino-2-methoxy-, methyl ester,methyl 2-methoxy-4-aminobenzoate,methyl 4-amino-2-methoxy-benzoate,4-amino-o-anisic acid methyl ester,methyl 4-amino-2-methoxybenzenecarboxylate,2-methoxy-4-aminobenzoic acid methyl ester,ethylbenzyl dimethyltetradecylammonium chloride,pubchem4712 PubChem CID: 168705 IUPAC Name: methyl 4-amino-2-methoxybenzoate SMILES: COC(=O)C1=CC=C(N)C=C1OC
| PubChem CID | 168705 |
|---|---|
| CAS | 27492-84-8 |
| Molecular Weight (g/mol) | 181.19 |
| MDL Number | MFCD00017202 |
| SMILES | COC(=O)C1=CC=C(N)C=C1OC |
| Synonym | methyl 4-amino-o-anisate,4-amino-2-methoxybenzoic acid methyl ester,benzoic acid, 4-amino-2-methoxy-, methyl ester,methyl 2-methoxy-4-aminobenzoate,methyl 4-amino-2-methoxy-benzoate,4-amino-o-anisic acid methyl ester,methyl 4-amino-2-methoxybenzenecarboxylate,2-methoxy-4-aminobenzoic acid methyl ester,ethylbenzyl dimethyltetradecylammonium chloride,pubchem4712 |
| IUPAC Name | methyl 4-amino-2-methoxybenzoate |
| InChI Key | YUPQMVSYNJQULF-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO3 |
4-Isopropylanisole, 95%
CAS: 4132-48-3 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00015033 InChI Key: JULZQKLZSNOEEJ-UHFFFAOYSA-N Synonym: 4-isopropylanisole,1-isopropyl-4-methoxybenzene,4-methoxycumene,p-isopropylanisole,anisole, p-isopropyl,2-4-methoxyphenyl propane,benzene, 1-methoxy-4-1-methylethyl,1-methoxy-4-propan-2-yl benzene,p-methoxycumene,p-methoxyisopropylbenzene PubChem CID: 77783 IUPAC Name: 1-methoxy-4-propan-2-ylbenzene SMILES: COC1=CC=C(C=C1)C(C)C
| PubChem CID | 77783 |
|---|---|
| CAS | 4132-48-3 |
| Molecular Weight (g/mol) | 150.22 |
| MDL Number | MFCD00015033 |
| SMILES | COC1=CC=C(C=C1)C(C)C |
| Synonym | 4-isopropylanisole,1-isopropyl-4-methoxybenzene,4-methoxycumene,p-isopropylanisole,anisole, p-isopropyl,2-4-methoxyphenyl propane,benzene, 1-methoxy-4-1-methylethyl,1-methoxy-4-propan-2-yl benzene,p-methoxycumene,p-methoxyisopropylbenzene |
| IUPAC Name | 1-methoxy-4-propan-2-ylbenzene |
| InChI Key | JULZQKLZSNOEEJ-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
1,3,5-Trimethoxy-2-nitrobenzene, 98%
CAS: 14227-18-0 Molecular Formula: C9H11NO5 Molecular Weight (g/mol): 213.189 MDL Number: MFCD00016992 InChI Key: VWYAWLZEMLQGJH-UHFFFAOYSA-N PubChem CID: 518903 IUPAC Name: 1,3,5-trimethoxy-2-nitrobenzene SMILES: COC1=CC(=C(C(=C1)OC)[N+](=O)[O-])OC
| PubChem CID | 518903 |
|---|---|
| CAS | 14227-18-0 |
| Molecular Weight (g/mol) | 213.189 |
| MDL Number | MFCD00016992 |
| SMILES | COC1=CC(=C(C(=C1)OC)[N+](=O)[O-])OC |
| IUPAC Name | 1,3,5-trimethoxy-2-nitrobenzene |
| InChI Key | VWYAWLZEMLQGJH-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO5 |
2-Methyl-5-nitrobenzenesulfonyl chloride, 97%
CAS: 121-02-8 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.64 MDL Number: MFCD00051695 InChI Key: WPGVQDHXOUAJBW-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzene-1-sulfonyl chloride,5-nitro-o-toluenesulfonyl chloride,2-methyl-5-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methyl-5-nitro,4-nitrotoluen-2-sulfochlorid,o-toluenesulfonyl chloride, 5-nitro,4-nitrotoluen-2-sulfonylchlorid,4-nitrotoluene-2-sulphonyl chloride,4-nitrotoluen-2-sulfochlorid czech,2-methyl-5-nitrophenylsulfonyl chloride PubChem CID: 8457 IUPAC Name: 2-methyl-5-nitrobenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1S(Cl)(=O)=O)[N+]([O-])=O
| PubChem CID | 8457 |
|---|---|
| CAS | 121-02-8 |
| Molecular Weight (g/mol) | 235.64 |
| MDL Number | MFCD00051695 |
| SMILES | CC1=CC=C(C=C1S(Cl)(=O)=O)[N+]([O-])=O |
| Synonym | 2-methyl-5-nitrobenzene-1-sulfonyl chloride,5-nitro-o-toluenesulfonyl chloride,2-methyl-5-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methyl-5-nitro,4-nitrotoluen-2-sulfochlorid,o-toluenesulfonyl chloride, 5-nitro,4-nitrotoluen-2-sulfonylchlorid,4-nitrotoluene-2-sulphonyl chloride,4-nitrotoluen-2-sulfochlorid czech,2-methyl-5-nitrophenylsulfonyl chloride |
| IUPAC Name | 2-methyl-5-nitrobenzenesulfonyl chloride |
| InChI Key | WPGVQDHXOUAJBW-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO4S |
3,3-Diphenylpropylamine, 97%
CAS: 5586-73-2 Molecular Formula: C15H17N Molecular Weight (g/mol): 211.308 MDL Number: MFCD00008202 InChI Key: KISZTEOELCMZPY-UHFFFAOYSA-N Synonym: 3,3-diphenylpropylamine,benzenepropanamine, .gamma.-phenyl,3-3-diphenylpropylamine,3,3-diphenylpropan-1-amin,acmc-209lpx,3.3-diphenylpropylamine,3,3 diphenylpropylamine,3,3-diphenyl propylamine,3,3-diphenyl-propylamine,3,3-diphenylpropylamine e PubChem CID: 79698 IUPAC Name: 3,3-diphenylpropan-1-amine SMILES: C1=CC=C(C=C1)C(CCN)C2=CC=CC=C2
| PubChem CID | 79698 |
|---|---|
| CAS | 5586-73-2 |
| Molecular Weight (g/mol) | 211.308 |
| MDL Number | MFCD00008202 |
| SMILES | C1=CC=C(C=C1)C(CCN)C2=CC=CC=C2 |
| Synonym | 3,3-diphenylpropylamine,benzenepropanamine, .gamma.-phenyl,3-3-diphenylpropylamine,3,3-diphenylpropan-1-amin,acmc-209lpx,3.3-diphenylpropylamine,3,3 diphenylpropylamine,3,3-diphenyl propylamine,3,3-diphenyl-propylamine,3,3-diphenylpropylamine e |
| IUPAC Name | 3,3-diphenylpropan-1-amine |
| InChI Key | KISZTEOELCMZPY-UHFFFAOYSA-N |
| Molecular Formula | C15H17N |
2-Methoxyphenylboronic acid, 97%
CAS: 5720-06-9 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.96 MDL Number: MFCD00236047 InChI Key: ROEQGIFOWRQYHD-UHFFFAOYSA-N SMILES: COC1=CC=CC=C1B(O)O
| CAS | 5720-06-9 |
|---|---|
| Molecular Weight (g/mol) | 151.96 |
| MDL Number | MFCD00236047 |
| SMILES | COC1=CC=CC=C1B(O)O |
| InChI Key | ROEQGIFOWRQYHD-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
4-Bromo-2-fluorobenzyl cyanide, 98+%, Thermo Scientific™
CAS: 114897-91-5 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.04 MDL Number: MFCD07368653 InChI Key: QLASQEZPJFNZQC-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzyl cyanide,2-4-bromo-2-fluorophenyl acetonitrile,4-bromo-2-fluorophenylacetonitrile,2-fluoro-4-bromophenylacetonitrile,benzeneacetonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorophenyl acetonitrile,2-4-bromo-2-fluorophenyl ethanenitrile,4-bromo-2-fluorobenzylcyanide,pubchem10413,acmc-2099lv PubChem CID: 7172308 IUPAC Name: 2-(4-bromo-2-fluorophenyl)acetonitrile SMILES: FC1=CC(Br)=CC=C1CC#N
| PubChem CID | 7172308 |
|---|---|
| CAS | 114897-91-5 |
| Molecular Weight (g/mol) | 214.04 |
| MDL Number | MFCD07368653 |
| SMILES | FC1=CC(Br)=CC=C1CC#N |
| Synonym | 4-bromo-2-fluorobenzyl cyanide,2-4-bromo-2-fluorophenyl acetonitrile,4-bromo-2-fluorophenylacetonitrile,2-fluoro-4-bromophenylacetonitrile,benzeneacetonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorophenyl acetonitrile,2-4-bromo-2-fluorophenyl ethanenitrile,4-bromo-2-fluorobenzylcyanide,pubchem10413,acmc-2099lv |
| IUPAC Name | 2-(4-bromo-2-fluorophenyl)acetonitrile |
| InChI Key | QLASQEZPJFNZQC-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrFN |
4-tert-Butylbenzylamine, 98%
CAS: 39895-55-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00040754 InChI Key: MPWSRGAWRAYBJK-UHFFFAOYSA-N Synonym: 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine PubChem CID: 2735655 IUPAC Name: (4-tert-butylphenyl)methanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CN
| PubChem CID | 2735655 |
|---|---|
| CAS | 39895-55-1 |
| Molecular Weight (g/mol) | 163.264 |
| MDL Number | MFCD00040754 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN |
| Synonym | 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine |
| IUPAC Name | (4-tert-butylphenyl)methanamine |
| InChI Key | MPWSRGAWRAYBJK-UHFFFAOYSA-N |
| Molecular Formula | C11H17N |