Benzene and substituted derivatives
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4,5-Dimethoxy-2-nitrobenzyl chloroformate, 97%
CAS: 42855-00-5 Molecular Formula: C10H10ClNO6 Molecular Weight (g/mol): 275.641 MDL Number: MFCD00143507 InChI Key: RWWPKIOWBQFXEE-UHFFFAOYSA-N Synonym: 4,5-dimethoxy-2-nitrobenzyl carbonochloridate,nvoc-cl,4,5-dimethoxy-2-nitrobenzyl chloroformate,6-nitroveratryl chloroformate,nitroveratryl oxy chlorocarbamate,6-nitroveratryloxycarbonyl chloride,carbonochloridic acid, 4,5-dimethoxy-2-nitrophenyl methyl ester,4,5-dimethoxy-2-nitrophenyl methyl chloroformate,4,5-dimethoxy-2-nitrophenyl methyl carbonochloridate,nvoc chloride PubChem CID: 3084878 IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl carbonochloridate SMILES: COC1=C(C=C(C(=C1)COC(=O)Cl)[N+](=O)[O-])OC
| PubChem CID | 3084878 |
|---|---|
| CAS | 42855-00-5 |
| Molecular Weight (g/mol) | 275.641 |
| MDL Number | MFCD00143507 |
| SMILES | COC1=C(C=C(C(=C1)COC(=O)Cl)[N+](=O)[O-])OC |
| Synonym | 4,5-dimethoxy-2-nitrobenzyl carbonochloridate,nvoc-cl,4,5-dimethoxy-2-nitrobenzyl chloroformate,6-nitroveratryl chloroformate,nitroveratryl oxy chlorocarbamate,6-nitroveratryloxycarbonyl chloride,carbonochloridic acid, 4,5-dimethoxy-2-nitrophenyl methyl ester,4,5-dimethoxy-2-nitrophenyl methyl chloroformate,4,5-dimethoxy-2-nitrophenyl methyl carbonochloridate,nvoc chloride |
| IUPAC Name | (4,5-dimethoxy-2-nitrophenyl)methyl carbonochloridate |
| InChI Key | RWWPKIOWBQFXEE-UHFFFAOYSA-N |
| Molecular Formula | C10H10ClNO6 |
3-(Bromomethyl)benzonitrile, 98%
CAS: 28188-41-2 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001809 InChI Key: CVKOOKPNCVYHNY-UHFFFAOYSA-N Synonym: 3-bromomethyl benzonitrile,3-cyanobenzyl bromide,alpha-bromo-m-tolunitrile,m-cyanobenzyl bromide,benzonitrile, 3-bromomethyl,m-bromomethyl benzonitrile,alpha-bromo-m-toluonitrile,m-tolunitrile, .alpha.-bromo,a-bromo-m-tolunitrile,3-bromomethyl-benzonitrile PubChem CID: 97249 IUPAC Name: 3-(bromomethyl)benzonitrile SMILES: BrCC1=CC=CC(=C1)C#N
| PubChem CID | 97249 |
|---|---|
| CAS | 28188-41-2 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00001809 |
| SMILES | BrCC1=CC=CC(=C1)C#N |
| Synonym | 3-bromomethyl benzonitrile,3-cyanobenzyl bromide,alpha-bromo-m-tolunitrile,m-cyanobenzyl bromide,benzonitrile, 3-bromomethyl,m-bromomethyl benzonitrile,alpha-bromo-m-toluonitrile,m-tolunitrile, .alpha.-bromo,a-bromo-m-tolunitrile,3-bromomethyl-benzonitrile |
| IUPAC Name | 3-(bromomethyl)benzonitrile |
| InChI Key | CVKOOKPNCVYHNY-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
Tamsulosin hydrochloride, 98+%
CAS: 106463-17-6 Molecular Formula: C20H29ClN2O5S Molecular Weight (g/mol): 444.971 MDL Number: MFCD00922997 InChI Key: ZZIZZTHXZRDOFM-XFULWGLBSA-N Synonym: tamsulosin hydrochloride,omnic,tamsulosin hcl,pradif,flomax,urolosin,secotex,josir,alna,omic PubChem CID: 5362376 ChEBI: CHEBI:9399 IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydrochloride SMILES: CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.Cl
| PubChem CID | 5362376 |
|---|---|
| CAS | 106463-17-6 |
| Molecular Weight (g/mol) | 444.971 |
| ChEBI | CHEBI:9399 |
| MDL Number | MFCD00922997 |
| SMILES | CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.Cl |
| Synonym | tamsulosin hydrochloride,omnic,tamsulosin hcl,pradif,flomax,urolosin,secotex,josir,alna,omic |
| IUPAC Name | 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydrochloride |
| InChI Key | ZZIZZTHXZRDOFM-XFULWGLBSA-N |
| Molecular Formula | C20H29ClN2O5S |
Cinnamonitrile, 97%, predominantly trans
CAS: 1885-38-7 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.162 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N
| PubChem CID | 1550846 |
|---|---|
| CAS | 1885-38-7 |
| Molecular Weight (g/mol) | 129.162 |
| MDL Number | MFCD00001930 |
| SMILES | C1=CC=C(C=C1)C=CC#N |
| Synonym | cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile |
| IUPAC Name | (E)-3-phenylprop-2-enenitrile |
| InChI Key | ZWKNLRXFUTWSOY-QPJJXVBHSA-N |
| Molecular Formula | C9H7N |
4-(Trifluoromethyl)benzoyl chloride, 97%
CAS: 329-15-7 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.56 MDL Number: MFCD00000694 InChI Key: OXZYBOLWRXENKT-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoyl chloride,p-trifluoromethyl benzoyl chloride,p-trifluoromethylbenzoyl chloride,benzoyl chloride, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluoyl chloride,4-trifluoromethyl benzoylchloride,p-trifluoromethyl benzoic acid chloride,ptf-boc,4-trifluoromethylbenzoylchloride,4-trifluoromethyl-benzoyl chloride PubChem CID: 67607 IUPAC Name: 4-(trifluoromethyl)benzoyl chloride SMILES: FC(F)(F)C1=CC=C(C=C1)C(Cl)=O
| PubChem CID | 67607 |
|---|---|
| CAS | 329-15-7 |
| Molecular Weight (g/mol) | 208.56 |
| MDL Number | MFCD00000694 |
| SMILES | FC(F)(F)C1=CC=C(C=C1)C(Cl)=O |
| Synonym | 4-trifluoromethyl benzoyl chloride,p-trifluoromethyl benzoyl chloride,p-trifluoromethylbenzoyl chloride,benzoyl chloride, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluoyl chloride,4-trifluoromethyl benzoylchloride,p-trifluoromethyl benzoic acid chloride,ptf-boc,4-trifluoromethylbenzoylchloride,4-trifluoromethyl-benzoyl chloride |
| IUPAC Name | 4-(trifluoromethyl)benzoyl chloride |
| InChI Key | OXZYBOLWRXENKT-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClF3O |
4-Chloro-O-tolylhydrazine hydrochloride, 97%, Thermo Scientific™
CAS: 19690-59-6 Molecular Formula: C7H10Cl2N2 Molecular Weight (g/mol): 193.071 MDL Number: MFCD00012944 InChI Key: VBVZXWFQHFXJJK-UHFFFAOYSA-N Synonym: 4-chloro-2-methylphenyl hydrazine hydrochloride,1-4-chloro-2-methylphenyl hydrazine hydrochloride,4-chloro-2-tolylhydrazine hydrochloride,4-chloro-2-methylphenylhydrazine, chloride,4-chloro-2-tolylhydrazine hcl,5-chloro-2-hydrazinotoluene hydrochloride,hydrazine, 4-chloro-2-methylphenyl-, hydrochloride 1:1 PubChem CID: 3084321 IUPAC Name: (4-chloro-2-methylphenyl)hydrazine;hydrochloride SMILES: CC1=C(C=CC(=C1)Cl)NN.Cl
| PubChem CID | 3084321 |
|---|---|
| CAS | 19690-59-6 |
| Molecular Weight (g/mol) | 193.071 |
| MDL Number | MFCD00012944 |
| SMILES | CC1=C(C=CC(=C1)Cl)NN.Cl |
| Synonym | 4-chloro-2-methylphenyl hydrazine hydrochloride,1-4-chloro-2-methylphenyl hydrazine hydrochloride,4-chloro-2-tolylhydrazine hydrochloride,4-chloro-2-methylphenylhydrazine, chloride,4-chloro-2-tolylhydrazine hcl,5-chloro-2-hydrazinotoluene hydrochloride,hydrazine, 4-chloro-2-methylphenyl-, hydrochloride 1:1 |
| IUPAC Name | (4-chloro-2-methylphenyl)hydrazine;hydrochloride |
| InChI Key | VBVZXWFQHFXJJK-UHFFFAOYSA-N |
| Molecular Formula | C7H10Cl2N2 |
1-(4-Iodophenyl)hydrazine 95%, Thermo Scientific™
CAS: 13116-27-3 Molecular Formula: C6H7IN2 Molecular Weight (g/mol): 234.04 InChI Key: IQMLCMKMSBMMGR-UHFFFAOYSA-N Synonym: 4-iodophenyl hydrazine,1-4-iodophenyl hydrazine,4-iodo-phenyl-hydrazine,4-iodo phenyl hydrazine,p-iodophenyl-hydrazine,4-iodophenyl diazane,pubchem15797,acmc-1brf1,1-hydrazino-4-iodobenzene,4-iodophenylhydrazine PubChem CID: 704591 IUPAC Name: (4-iodophenyl)hydrazine SMILES: C1=CC(=CC=C1NN)I
| PubChem CID | 704591 |
|---|---|
| CAS | 13116-27-3 |
| Molecular Weight (g/mol) | 234.04 |
| SMILES | C1=CC(=CC=C1NN)I |
| Synonym | 4-iodophenyl hydrazine,1-4-iodophenyl hydrazine,4-iodo-phenyl-hydrazine,4-iodo phenyl hydrazine,p-iodophenyl-hydrazine,4-iodophenyl diazane,pubchem15797,acmc-1brf1,1-hydrazino-4-iodobenzene,4-iodophenylhydrazine |
| IUPAC Name | (4-iodophenyl)hydrazine |
| InChI Key | IQMLCMKMSBMMGR-UHFFFAOYSA-N |
| Molecular Formula | C6H7IN2 |
| CAS | 619-73-8 |
|---|
| CAS | 1927-06-6 |
|---|
| CAS | 2751-90-8 |
|---|
Methyl 4-tert-butylbenzoate, 99%, Thermo Scientific™
CAS: 26537-19-9 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00008835 InChI Key: UPIJOAFHOIWPLT-UHFFFAOYSA-N Synonym: methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester PubChem CID: 97433 IUPAC Name: methyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 97433 |
|---|---|
| CAS | 26537-19-9 |
| Molecular Weight (g/mol) | 192.26 |
| MDL Number | MFCD00008835 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC |
| Synonym | methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester |
| IUPAC Name | methyl 4-tert-butylbenzoate |
| InChI Key | UPIJOAFHOIWPLT-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
Dimethyl terephthalate, 99%
CAS: 120-61-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008440 InChI Key: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonym: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate PubChem CID: 8441 SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 8441 |
|---|---|
| CAS | 120-61-6 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00008440 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate |
| InChI Key | WOZVHXUHUFLZGK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
2,5-Di-tert-butylhydroquinone, 99%
CAS: 88-58-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008825 InChI Key: JZODKRWQWUWGCD-UHFFFAOYSA-N Synonym: 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone PubChem CID: 2374 ChEBI: CHEBI:41094 IUPAC Name: 2,5-ditert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C
| PubChem CID | 2374 |
|---|---|
| CAS | 88-58-4 |
| Molecular Weight (g/mol) | 222.33 |
| ChEBI | CHEBI:41094 |
| MDL Number | MFCD00008825 |
| SMILES | CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C |
| Synonym | 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone |
| IUPAC Name | 2,5-ditert-butylbenzene-1,4-diol |
| InChI Key | JZODKRWQWUWGCD-UHFFFAOYSA-N |
| Molecular Formula | C14H22O2 |
(S)-(+)-alpha-Methoxyphenylacetic acid, 98%
CAS: 26164-26-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00064216 InChI Key: DIWVBIXQCNRCFE-QMMMGPOBSA-N Synonym: s-+-alpha-methoxyphenylacetic acid,s-2-methoxy-2-phenylacetic acid,s-methoxyphenylacetic acid,s-alpha-methoxyphenylacetic acid,s-+-methoxyphenylacetic acid,2s-2-methoxy-2-phenylacetic acid,s-methoxy phenyl acetic acid,s---alpha-methoxyphenylacetic acid,methoxy phenyl acetic acid #,benzeneacetic acid, .alpha.-methoxy-, s PubChem CID: 643325 IUPAC Name: (2S)-2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O
| PubChem CID | 643325 |
|---|---|
| CAS | 26164-26-1 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00064216 |
| SMILES | COC(C1=CC=CC=C1)C(=O)O |
| Synonym | s-+-alpha-methoxyphenylacetic acid,s-2-methoxy-2-phenylacetic acid,s-methoxyphenylacetic acid,s-alpha-methoxyphenylacetic acid,s-+-methoxyphenylacetic acid,2s-2-methoxy-2-phenylacetic acid,s-methoxy phenyl acetic acid,s---alpha-methoxyphenylacetic acid,methoxy phenyl acetic acid #,benzeneacetic acid, .alpha.-methoxy-, s |
| IUPAC Name | (2S)-2-methoxy-2-phenylacetic acid |
| InChI Key | DIWVBIXQCNRCFE-QMMMGPOBSA-N |
| Molecular Formula | C9H10O3 |