Benzene and substituted derivatives
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Dichlorobis(tri-o-tolylphosphine)palladium(II), 95%
CAS: 40691-33-6 Molecular Formula: C42H42Cl2P2Pd Molecular Weight (g/mol): 786.06 MDL Number: MFCD00274659 InChI Key: GMLMZLGOMMIIMA-UHFFFAOYSA-L Synonym: palladium,dichlorobis tris 2-methylphenyl phosphine PubChem CID: 90656943 IUPAC Name: palladium;tris(2-methylphenyl)phosphane;dichloride SMILES: Cl[Pd++]Cl.CC1=CC=CC=C1P(C1=C(C)C=CC=C1)C1=C(C)C=CC=C1.CC1=CC=CC=C1P(C1=C(C)C=CC=C1)C1=C(C)C=CC=C1
| PubChem CID | 90656943 |
|---|---|
| CAS | 40691-33-6 |
| Molecular Weight (g/mol) | 786.06 |
| MDL Number | MFCD00274659 |
| SMILES | Cl[Pd++]Cl.CC1=CC=CC=C1P(C1=C(C)C=CC=C1)C1=C(C)C=CC=C1.CC1=CC=CC=C1P(C1=C(C)C=CC=C1)C1=C(C)C=CC=C1 |
| Synonym | palladium,dichlorobis tris 2-methylphenyl phosphine |
| IUPAC Name | palladium;tris(2-methylphenyl)phosphane;dichloride |
| InChI Key | GMLMZLGOMMIIMA-UHFFFAOYSA-L |
| Molecular Formula | C42H42Cl2P2Pd |
1-Difluoromethoxy-3-nitrobenzene, 98%, Thermo Scientific Chemicals
CAS: 22236-07-3 Molecular Formula: C7H5F2NO3 Molecular Weight (g/mol): 189.12 MDL Number: MFCD03407974 InChI Key: NYVCZALWNPMMSQ-UHFFFAOYSA-N Synonym: 1-difluoromethoxy-3-nitrobenzene,3-difluoromethoxy nitrobenzene,benzene, 1-difluoromethoxy-3-nitro,acmc-1coex,nyvczalwnpmmsq-uhfffaoysa,difluoromethyl 3-nitrophenyl ether,3-difluoromethoxy-1-nitrobenzene,3-nitro-1-difluoromethoxy benzene,3-nitro-alpha,alpha-difluoroanisole,alpha,alpha-difluoro-3-nitroanisole PubChem CID: 2774117 IUPAC Name: 1-(difluoromethoxy)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(OC(F)F)=C1
| PubChem CID | 2774117 |
|---|---|
| CAS | 22236-07-3 |
| Molecular Weight (g/mol) | 189.12 |
| MDL Number | MFCD03407974 |
| SMILES | [O-][N+](=O)C1=CC=CC(OC(F)F)=C1 |
| Synonym | 1-difluoromethoxy-3-nitrobenzene,3-difluoromethoxy nitrobenzene,benzene, 1-difluoromethoxy-3-nitro,acmc-1coex,nyvczalwnpmmsq-uhfffaoysa,difluoromethyl 3-nitrophenyl ether,3-difluoromethoxy-1-nitrobenzene,3-nitro-1-difluoromethoxy benzene,3-nitro-alpha,alpha-difluoroanisole,alpha,alpha-difluoro-3-nitroanisole |
| IUPAC Name | 1-(difluoromethoxy)-3-nitrobenzene |
| InChI Key | NYVCZALWNPMMSQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5F2NO3 |
N-Isopropylbenzylamine, 97%
CAS: 102-97-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00008863 InChI Key: LYBKPDDZTNUNNM-UHFFFAOYSA-N Synonym: n-isopropylbenzylamine,n-benzylisopropylamine,isopropylbenzylamine,n-benzyl-n-isopropylamine,benzylisopropylamine,benzenemethanamine, n-1-methylethyl,n-benzyl isopropylamine,benzylamine, n-isopropyl,n-1-methylethyl-benzenemethanamine,benzyl propan-2-yl amine PubChem CID: 66024 IUPAC Name: N-benzylpropan-2-amine SMILES: CC(C)NCC1=CC=CC=C1
| PubChem CID | 66024 |
|---|---|
| CAS | 102-97-6 |
| Molecular Weight (g/mol) | 149.237 |
| MDL Number | MFCD00008863 |
| SMILES | CC(C)NCC1=CC=CC=C1 |
| Synonym | n-isopropylbenzylamine,n-benzylisopropylamine,isopropylbenzylamine,n-benzyl-n-isopropylamine,benzylisopropylamine,benzenemethanamine, n-1-methylethyl,n-benzyl isopropylamine,benzylamine, n-isopropyl,n-1-methylethyl-benzenemethanamine,benzyl propan-2-yl amine |
| IUPAC Name | N-benzylpropan-2-amine |
| InChI Key | LYBKPDDZTNUNNM-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
Disodium terephthalate, 99+%
CAS: 10028-70-3 Molecular Formula: C8H4Na2O4 Molecular Weight (g/mol): 210.096 MDL Number: MFCD00013137 InChI Key: VIQSRHWJEKERKR-UHFFFAOYSA-L Synonym: disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? PubChem CID: 82305 IUPAC Name: disodium;terephthalate SMILES: C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
| PubChem CID | 82305 |
|---|---|
| CAS | 10028-70-3 |
| Molecular Weight (g/mol) | 210.096 |
| MDL Number | MFCD00013137 |
| SMILES | C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? |
| IUPAC Name | disodium;terephthalate |
| InChI Key | VIQSRHWJEKERKR-UHFFFAOYSA-L |
| Molecular Formula | C8H4Na2O4 |
1-Chloro-2-fluorobenzene, 98+%
CAS: 348-51-6 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000533 InChI Key: ZCJAYDKWZAWMPR-UHFFFAOYSA-N Synonym: 2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene PubChem CID: 9583 IUPAC Name: 1-chloro-2-fluorobenzene SMILES: FC1=CC=CC=C1Cl
| PubChem CID | 9583 |
|---|---|
| CAS | 348-51-6 |
| Molecular Weight (g/mol) | 130.55 |
| MDL Number | MFCD00000533 |
| SMILES | FC1=CC=CC=C1Cl |
| Synonym | 2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene |
| IUPAC Name | 1-chloro-2-fluorobenzene |
| InChI Key | ZCJAYDKWZAWMPR-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClF |
4-Chlorobenzyl bromide, 98+%
CAS: 622-95-7 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.48 MDL Number: MFCD00040714 InChI Key: KQNBRMUBPRGXSL-UHFFFAOYSA-N Synonym: 4-chlorobenzyl bromide,1-bromomethyl-4-chlorobenzene,p-chlorobenzyl bromide,4-chlorobenzylbromide,benzene, 1-bromomethyl-4-chloro,alpha-bromo-4-chlorotoluene,4cbb,p-chlorobenzylbromide,4-chloro-benzylbromide PubChem CID: 69329 IUPAC Name: 1-(bromomethyl)-4-chlorobenzene SMILES: ClC1=CC=C(CBr)C=C1
| PubChem CID | 69329 |
|---|---|
| CAS | 622-95-7 |
| Molecular Weight (g/mol) | 205.48 |
| MDL Number | MFCD00040714 |
| SMILES | ClC1=CC=C(CBr)C=C1 |
| Synonym | 4-chlorobenzyl bromide,1-bromomethyl-4-chlorobenzene,p-chlorobenzyl bromide,4-chlorobenzylbromide,benzene, 1-bromomethyl-4-chloro,alpha-bromo-4-chlorotoluene,4cbb,p-chlorobenzylbromide,4-chloro-benzylbromide |
| IUPAC Name | 1-(bromomethyl)-4-chlorobenzene |
| InChI Key | KQNBRMUBPRGXSL-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
4-Cyano-4″-n-pentyl-p-terphenyl, 99%
CAS: 54211-46-0 Molecular Formula: C24H23N Molecular Weight (g/mol): 325.455 MDL Number: MFCD00799423 InChI Key: AITQOXOBSMXBRV-UHFFFAOYSA-N Synonym: 4-pentyl-1,1':4',1-terphenyl-4-carbonitrile,4-cyano-4-n-pentyl-p-terphenyl,4-cyano-4-pentyl-p-terphenyl,1,1':4',1-terphenyl-4-carbonitrile, 4-pentyl,4-4-4-pentylphenyl phenyl benzonitrile,pubchem9116,4-pentyl-p-terphenyl-4-carbonitrile,4-cyano-4'-pentyl-p-terphenyl PubChem CID: 104707 IUPAC Name: 4-[4-(4-pentylphenyl)phenyl]benzonitrile SMILES: CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
| PubChem CID | 104707 |
|---|---|
| CAS | 54211-46-0 |
| Molecular Weight (g/mol) | 325.455 |
| MDL Number | MFCD00799423 |
| SMILES | CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N |
| Synonym | 4-pentyl-1,1':4',1-terphenyl-4-carbonitrile,4-cyano-4-n-pentyl-p-terphenyl,4-cyano-4-pentyl-p-terphenyl,1,1':4',1-terphenyl-4-carbonitrile, 4-pentyl,4-4-4-pentylphenyl phenyl benzonitrile,pubchem9116,4-pentyl-p-terphenyl-4-carbonitrile,4-cyano-4'-pentyl-p-terphenyl |
| IUPAC Name | 4-[4-(4-pentylphenyl)phenyl]benzonitrile |
| InChI Key | AITQOXOBSMXBRV-UHFFFAOYSA-N |
| Molecular Formula | C24H23N |
Butylparaben, NF, 98-102%, Spectrum™ Chemical
CAS: 94-26-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 InChI Key: QFOHBWFCKVYLES-UHFFFAOYSA-N IUPAC Name: butyl 4-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=C(O)C=C1
| CAS | 94-26-8 |
|---|---|
| Molecular Weight (g/mol) | 194.23 |
| SMILES | CCCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | butyl 4-hydroxybenzoate |
| InChI Key | QFOHBWFCKVYLES-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Phenylhydrazinium Chloride, Reag. Ph Eur, For Analysis, EMSURE™, MilliporeSigma™
CAS: 59-88-1 Molecular Formula: C6H9ClN2 Molecular Weight (g/mol): 144.60 MDL Number: MFCD00012924 InChI Key: JOVOSQBPPZZESK-UHFFFAOYSA-N Synonym: phenylhydrazine hydrochloride,phenylhydrazinium chloride,phenylhydrazine-hcl,phenylhydrazine monohydrochloride,phenylhydrazine hcl,hydrazine, phenyl-, monohydrochloride,unii-h7qfk49svd,phenylhydrazin hydrochlorid,phenylhydrazine.hcl,ccris 5707 PubChem CID: 60962 IUPAC Name: hydrogen phenylhydrazine chloride SMILES: [H+].[Cl-].NNC1=CC=CC=C1
| PubChem CID | 60962 |
|---|---|
| CAS | 59-88-1 |
| Molecular Weight (g/mol) | 144.60 |
| MDL Number | MFCD00012924 |
| SMILES | [H+].[Cl-].NNC1=CC=CC=C1 |
| Synonym | phenylhydrazine hydrochloride,phenylhydrazinium chloride,phenylhydrazine-hcl,phenylhydrazine monohydrochloride,phenylhydrazine hcl,hydrazine, phenyl-, monohydrochloride,unii-h7qfk49svd,phenylhydrazin hydrochlorid,phenylhydrazine.hcl,ccris 5707 |
| IUPAC Name | hydrogen phenylhydrazine chloride |
| InChI Key | JOVOSQBPPZZESK-UHFFFAOYSA-N |
| Molecular Formula | C6H9ClN2 |
4-Nitrophthalic acid, 97%
CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007252 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
| PubChem CID | 69121 |
|---|---|
| CAS | 610-27-5 |
| Molecular Weight (g/mol) | 211.129 |
| MDL Number | MFCD00007252 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O |
| Synonym | 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 |
| InChI Key | SLBQXWXKPNIVSQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO6 |
Dimethyl 5-nitroisophthalate, 98+%
CAS: 13290-96-5 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.18 MDL Number: MFCD00008429 InChI Key: GGTSJKFPGKFLCZ-UHFFFAOYSA-N Synonym: dimethyl 5-nitroisophthalate,5-nitroisophthalic acid dimethyl ester,5-nitroisophthalic acid, dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, dimethyl ester,dimethyl 5-nitro-1,3-benzenedicarboxylate,isophthalic acid, 5-nitro-, dimethyl ester,1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate,5-nitro dimethyl isophthalate,5-nitro-1,3-benzenedicarboxylic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester PubChem CID: 83316 IUPAC Name: dimethyl 5-nitrobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O
| PubChem CID | 83316 |
|---|---|
| CAS | 13290-96-5 |
| Molecular Weight (g/mol) | 239.18 |
| MDL Number | MFCD00008429 |
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O |
| Synonym | dimethyl 5-nitroisophthalate,5-nitroisophthalic acid dimethyl ester,5-nitroisophthalic acid, dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, dimethyl ester,dimethyl 5-nitro-1,3-benzenedicarboxylate,isophthalic acid, 5-nitro-, dimethyl ester,1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate,5-nitro dimethyl isophthalate,5-nitro-1,3-benzenedicarboxylic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester |
| IUPAC Name | dimethyl 5-nitrobenzene-1,3-dicarboxylate |
| InChI Key | GGTSJKFPGKFLCZ-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO6 |
Octisalate, USP, 95-105%, Spectrum™ Chemical
CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O
| CAS | 118-60-5 |
|---|---|
| Molecular Weight (g/mol) | 250.34 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1O |
| IUPAC Name | 2-ethylhexyl 2-hydroxybenzoate |
| InChI Key | FMRHJJZUHUTGKE-UHFFFAOYNA-N |
| Molecular Formula | C15H22O3 |
Methyl 5-chloro-2-methoxybenzoate, 98%
CAS: 33924-48-0 Molecular Formula: C9H9ClO3 Molecular Weight (g/mol): 200.618 MDL Number: MFCD00017511 InChI Key: HPTHYBXMNNGQEF-UHFFFAOYSA-N Synonym: methyl 5-chloro-o-anisate,methyl-5-chloro-2-methoxybenzoate,5-chloro-2-methoxybenzoic acid methyl ester,benzoic acid, 5-chloro-2-methoxy-, methyl ester,5-chloro-o-anisic acid methyl ester,5-chloro-2-methoxy-benzoic acid methyl ester,pubchem3709,methyl5-chloro-2-methoxybenzoate,acmc-1agpb,dsstox_cid_31509 PubChem CID: 118574 IUPAC Name: methyl 5-chloro-2-methoxybenzoate SMILES: COC1=C(C=C(C=C1)Cl)C(=O)OC
| PubChem CID | 118574 |
|---|---|
| CAS | 33924-48-0 |
| Molecular Weight (g/mol) | 200.618 |
| MDL Number | MFCD00017511 |
| SMILES | COC1=C(C=C(C=C1)Cl)C(=O)OC |
| Synonym | methyl 5-chloro-o-anisate,methyl-5-chloro-2-methoxybenzoate,5-chloro-2-methoxybenzoic acid methyl ester,benzoic acid, 5-chloro-2-methoxy-, methyl ester,5-chloro-o-anisic acid methyl ester,5-chloro-2-methoxy-benzoic acid methyl ester,pubchem3709,methyl5-chloro-2-methoxybenzoate,acmc-1agpb,dsstox_cid_31509 |
| IUPAC Name | methyl 5-chloro-2-methoxybenzoate |
| InChI Key | HPTHYBXMNNGQEF-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO3 |
Phenoxybenzamine Hydrochloride, USP, 98-101%, Spectrum™ Chemical
CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.29 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYNA-N IUPAC Name: hydrogen benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine chloride SMILES: [H+].[Cl-].CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1
| CAS | 63-92-3 |
|---|---|
| Molecular Weight (g/mol) | 340.29 |
| SMILES | [H+].[Cl-].CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1 |
| IUPAC Name | hydrogen benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine chloride |
| InChI Key | VBCPVIWPDJVHAN-UHFFFAOYNA-N |
| Molecular Formula | C18H23Cl2NO |
Methyl 2-hydroxy-5-nitrobenzoate, 98%
CAS: 17302-46-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00024695 InChI Key: UUBFELFUKFJSRD-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate PubChem CID: 87041 SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
| PubChem CID | 87041 |
|---|---|
| CAS | 17302-46-4 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD00024695 |
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O |
| Synonym | methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate |
| InChI Key | UUBFELFUKFJSRD-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |