Benzene and substituted derivatives
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Guanfacine Hydrochloride, TRC
CAS: 29110-48-3 Molecular Weight (g/mol): 282.55 Synonym: N-(Aminoiminomethyl)-2,6-dichloro-benzeneacetamide Hydrochloride (1:1),Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, monohydrochloride (9CI),2,6-Dichlorophenylacetylguanidine hydrochloride,BS 100-141,Estulic,Guanfacine hydrochloride,INTUNIV,LON 798,N-Amidino-2-(2,6-dichlorophenyl)acetamide hydrochloride,SPD 503,Tenex,Tenex (pharmaceutical),[(2,6-Dichlorophenyl)acetyl]guanidine monohydrochloride IUPAC Name: N-carbamimidoyl-2-(2,6-dichlorophenyl)acetamide;hydrochloride SMILES: Cl.NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
| CAS | 29110-48-3 |
|---|---|
| Molecular Weight (g/mol) | 282.55 |
| SMILES | Cl.NC(=N)NC(=O)Cc1c(Cl)cccc1Cl |
| Synonym | N-(Aminoiminomethyl)-2,6-dichloro-benzeneacetamide Hydrochloride (1:1),Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, monohydrochloride (9CI),2,6-Dichlorophenylacetylguanidine hydrochloride,BS 100-141,Estulic,Guanfacine hydrochloride,INTUNIV,LON 798,N-Amidino-2-(2,6-dichlorophenyl)acetamide hydrochloride,SPD 503,Tenex,Tenex (pharmaceutical),[(2,6-Dichlorophenyl)acetyl]guanidine monohydrochloride |
| IUPAC Name | N-carbamimidoyl-2-(2,6-dichlorophenyl)acetamide;hydrochloride |
2,4-Dichlorophenoxyacetic acid, 97%
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 |
Benzoic acid, 99%, extra pure
CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00002398 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O
| PubChem CID | 243 |
|---|---|
| CAS | 65-85-0 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:30746 |
| MDL Number | MFCD00002398 |
| SMILES | C1=CC=C(C=C1)C(=O)O |
| Synonym | benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv |
| IUPAC Name | benzoic acid |
| InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
2-Chlorobenzoic acid, 98%
CAS: 118-91-2 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 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) | 156.57 |
| 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 |
O-Acetylsalicylic acid, 99%
CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O
| PubChem CID | 2244 |
|---|---|
| CAS | 50-78-2 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:15365 |
| MDL Number | MFCD00002430 |
| SMILES | CC(=O)OC1=CC=CC=C1C(O)=O |
| Synonym | aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin |
| IUPAC Name | 2-acetyloxybenzoic acid |
| InChI Key | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
DL-alpha-Methoxyphenylacetic acid, 99%
CAS: 7021-09-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 InChI Key: DIWVBIXQCNRCFE-UHFFFAOYNA-N Synonym: methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid PubChem CID: 107202 IUPAC Name: 2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O
| PubChem CID | 107202 |
|---|---|
| CAS | 7021-09-2 |
| Molecular Weight (g/mol) | 166.18 |
| SMILES | COC(C1=CC=CC=C1)C(=O)O |
| Synonym | methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid |
| IUPAC Name | 2-methoxy-2-phenylacetic acid |
| InChI Key | DIWVBIXQCNRCFE-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |
Terephthalic acid, 99+%
CAS: 100-21-0 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00002558 InChI Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonym: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene PubChem CID: 7489 ChEBI: CHEBI:15702 IUPAC Name: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O
| PubChem CID | 7489 |
|---|---|
| CAS | 100-21-0 |
| Molecular Weight (g/mol) | 166.13 |
| ChEBI | CHEBI:15702 |
| MDL Number | MFCD00002558 |
| SMILES | C1=CC(=CC=C1C(=O)O)C(=O)O |
| Synonym | p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene |
| IUPAC Name | terephthalic acid |
| InChI Key | KKEYFWRCBNTPAC-UHFFFAOYSA-N |
| Molecular Formula | C8H6O4 |
2-Vinylbenzoic acid, 96%
CAS: 27326-43-8 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD02066273 InChI Key: XUDBVJCTLZTSDC-UHFFFAOYSA-N PubChem CID: 3015504 IUPAC Name: 2-ethenylbenzoic acid SMILES: C=CC1=CC=CC=C1C(=O)O
| PubChem CID | 3015504 |
|---|---|
| CAS | 27326-43-8 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD02066273 |
| SMILES | C=CC1=CC=CC=C1C(=O)O |
| IUPAC Name | 2-ethenylbenzoic acid |
| InChI Key | XUDBVJCTLZTSDC-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
Benzoic acid, 99.6%, ACS reagent
CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O
| PubChem CID | 243 |
|---|---|
| CAS | 65-85-0 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:30746 |
| SMILES | C1=CC=C(C=C1)C(=O)O |
| Synonym | benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv |
| IUPAC Name | benzoic acid |
| InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
2,4,6-Trimethylbenzoic acid, 99%
CAS: 480-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00002481 InChI Key: FFFIRKXTFQCCKJ-UHFFFAOYSA-N Synonym: mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl PubChem CID: 10194 ChEBI: CHEBI:64830 IUPAC Name: 2,4,6-trimethylbenzoic acid SMILES: CC1=CC(C)=C(C(O)=O)C(C)=C1
| PubChem CID | 10194 |
|---|---|
| CAS | 480-63-7 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:64830 |
| MDL Number | MFCD00002481 |
| SMILES | CC1=CC(C)=C(C(O)=O)C(C)=C1 |
| Synonym | mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl |
| IUPAC Name | 2,4,6-trimethylbenzoic acid |
| InChI Key | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
4-Aminobenzoic acid, 99%
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
p-Anisic acid, 98%
CAS: 100-09-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002542 InChI Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N Synonym: p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer PubChem CID: 7478 ChEBI: CHEBI:40813 IUPAC Name: 4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1)C(O)=O
| PubChem CID | 7478 |
|---|---|
| CAS | 100-09-4 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:40813 |
| MDL Number | MFCD00002542 |
| SMILES | COC1=CC=C(C=C1)C(O)=O |
| Synonym | p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer |
| IUPAC Name | 4-methoxybenzoic acid |
| InChI Key | ZEYHEAKUIGZSGI-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
2,5-Dihydroxyterephthalic acid, 97%
CAS: 610-92-4 Molecular Formula: C8H6O6 Molecular Weight (g/mol): 198.13 MDL Number: MFCD00132933 InChI Key: OYFRNYNHAZOYNF-UHFFFAOYSA-N Synonym: 1,4-benzenedicarboxylic acid, 2,5-dihydroxy,2,5-dihydroxyterephthalicacid,2,5-dihydroxy-1,4-benzenedicarboxylic acid,2,5-dihydroxybenzene-1,4-dicarboxylic acid,zlchem 699,acmc-1ayqi,1, 2,5-dihydroxy,2,5-dihydroxytelephthalic acid,#,2,5-dihydroxyterephthalic acid PubChem CID: 69131 IUPAC Name: 2,5-dihydroxyterephthalic acid SMILES: C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O
| PubChem CID | 69131 |
|---|---|
| CAS | 610-92-4 |
| Molecular Weight (g/mol) | 198.13 |
| MDL Number | MFCD00132933 |
| SMILES | C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O |
| Synonym | 1,4-benzenedicarboxylic acid, 2,5-dihydroxy,2,5-dihydroxyterephthalicacid,2,5-dihydroxy-1,4-benzenedicarboxylic acid,2,5-dihydroxybenzene-1,4-dicarboxylic acid,zlchem 699,acmc-1ayqi,1, 2,5-dihydroxy,2,5-dihydroxytelephthalic acid,#,2,5-dihydroxyterephthalic acid |
| IUPAC Name | 2,5-dihydroxyterephthalic acid |
| InChI Key | OYFRNYNHAZOYNF-UHFFFAOYSA-N |
| Molecular Formula | C8H6O6 |
5,5'-Dithiobis-(2-nitrobenzoic acid), 99%
CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
| PubChem CID | 6254 |
|---|---|
| CAS | 69-78-3 |
| Molecular Weight (g/mol) | 396.34 |
| ChEBI | CHEBI:86228 |
| MDL Number | MFCD00007140 |
| SMILES | OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O |
| Synonym | dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid |
| IUPAC Name | 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid |
| InChI Key | KIUMMUBSPKGMOY-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2O8S2 |
Styrene-4-sulfonic acid sodium salt
CAS: 2695-37-6 Molecular Formula: C8H7NaO3S Molecular Weight (g/mol): 206.19 MDL Number: MFCD00013379 MFCD00084449 InChI Key: XFTALRAZSCGSKN-UHFFFAOYSA-M Synonym: sodium 4-vinylbenzenesulfonate,sodium p-styrenesulfonate,sodium 4-styrenesulfonate,sodium p-styrene sulfonate,unii-0kp0v3og5g,benzenesulfonic acid, 4-ethenyl-, sodium salt,poly sodium 4-vinylbenzenesulfonate,0kp0v3og5g,sodium 4-ethenylbenzenesulfonate,p-styrenesulfonic acid sodium salt PubChem CID: 3571582 IUPAC Name: sodium;4-ethenylbenzenesulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=C(C=C)C=C1
| PubChem CID | 3571582 |
|---|---|
| CAS | 2695-37-6 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00013379 MFCD00084449 |
| SMILES | [Na+].[O-]S(=O)(=O)C1=CC=C(C=C)C=C1 |
| Synonym | sodium 4-vinylbenzenesulfonate,sodium p-styrenesulfonate,sodium 4-styrenesulfonate,sodium p-styrene sulfonate,unii-0kp0v3og5g,benzenesulfonic acid, 4-ethenyl-, sodium salt,poly sodium 4-vinylbenzenesulfonate,0kp0v3og5g,sodium 4-ethenylbenzenesulfonate,p-styrenesulfonic acid sodium salt |
| IUPAC Name | sodium;4-ethenylbenzenesulfonate |
| InChI Key | XFTALRAZSCGSKN-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO3S |