Benzene and substituted derivatives
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2,3,4,5,6-Pentafluorobenzophenone, 98%
CAS: 1536-23-8 Molecular Formula: C13H5F5O Molecular Weight (g/mol): 272.17 MDL Number: MFCD00000294 InChI Key: HCCPWBWOSASKLG-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzophenone,pentafluorobenzophenone,perfluorophenyl phenyl methanone,pentafluorophenyl phenyl methanone,methanone, pentafluorophenyl phenyl,benzophenone, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorophenyl phenyl methanone,2,3,4,5,6-pentafluorophenyl phenyl ketone,benzoylpentafluorobenzene,acmc-1bvr7 PubChem CID: 73755 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)-phenylmethanone SMILES: FC1=C(F)C(F)=C(C(=O)C2=CC=CC=C2)C(F)=C1F
| PubChem CID | 73755 |
|---|---|
| CAS | 1536-23-8 |
| Molecular Weight (g/mol) | 272.17 |
| MDL Number | MFCD00000294 |
| SMILES | FC1=C(F)C(F)=C(C(=O)C2=CC=CC=C2)C(F)=C1F |
| Synonym | 2,3,4,5,6-pentafluorobenzophenone,pentafluorobenzophenone,perfluorophenyl phenyl methanone,pentafluorophenyl phenyl methanone,methanone, pentafluorophenyl phenyl,benzophenone, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorophenyl phenyl methanone,2,3,4,5,6-pentafluorophenyl phenyl ketone,benzoylpentafluorobenzene,acmc-1bvr7 |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)-phenylmethanone |
| InChI Key | HCCPWBWOSASKLG-UHFFFAOYSA-N |
| Molecular Formula | C13H5F5O |
N-(3-Aminopropyl)Cyclohexylamine, Spectrum™ Chemical
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CAS: 3312-60-5
| CAS | 3312-60-5 |
|---|
Methyl 4-nitrobenzoate, 99%
CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 12083 |
|---|---|
| CAS | 619-50-1 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007350 |
| SMILES | COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester |
| IUPAC Name | methyl 4-nitrobenzoate |
| InChI Key | YOJAHJGBFDPSDI-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
4-Hydroxy-3,5-dimethoxybenzyl alcohol, 97%
CAS: 530-56-3 Molecular Formula: C9H12O4 Molecular Weight (g/mol): 184.191 MDL Number: MFCD00016871 InChI Key: LUOAEJWSKPQLJD-UHFFFAOYSA-N Synonym: 4-hydroxy-3,5-dimethoxybenzyl alcohol,4-hydroxymethyl-2,6-dimethoxyphenol,syringyl alcohol,syringic alcohol,3,5-dimethoxy-4-hydroxybenzyl alcohol,unii-k7g66i59xc,benzenemethanol, 4-hydroxy-3,5-dimethoxy,2,6-dimethoxy-4-hydroxymethyl phenol,4-hydroxymethyl-2,6-dimethoxy-phenol,3,5-dimethoxy-4-hydroxybenzylalcohol PubChem CID: 10741 ChEBI: CHEBI:86948 IUPAC Name: 4-(hydroxymethyl)-2,6-dimethoxyphenol SMILES: COC1=CC(=CC(=C1O)OC)CO
| PubChem CID | 10741 |
|---|---|
| CAS | 530-56-3 |
| Molecular Weight (g/mol) | 184.191 |
| ChEBI | CHEBI:86948 |
| MDL Number | MFCD00016871 |
| SMILES | COC1=CC(=CC(=C1O)OC)CO |
| Synonym | 4-hydroxy-3,5-dimethoxybenzyl alcohol,4-hydroxymethyl-2,6-dimethoxyphenol,syringyl alcohol,syringic alcohol,3,5-dimethoxy-4-hydroxybenzyl alcohol,unii-k7g66i59xc,benzenemethanol, 4-hydroxy-3,5-dimethoxy,2,6-dimethoxy-4-hydroxymethyl phenol,4-hydroxymethyl-2,6-dimethoxy-phenol,3,5-dimethoxy-4-hydroxybenzylalcohol |
| IUPAC Name | 4-(hydroxymethyl)-2,6-dimethoxyphenol |
| InChI Key | LUOAEJWSKPQLJD-UHFFFAOYSA-N |
| Molecular Formula | C9H12O4 |
3,4-Dichlorophenylhydrazine hydrochloride, 98+%
CAS: 19763-90-7 Molecular Formula: C6H7Cl3N2 Molecular Weight (g/mol): 213.486 MDL Number: MFCD00012937 InChI Key: WIKZRYSGQPZTMM-UHFFFAOYSA-N Synonym: 3,4-dichlorophenylhydrazine hydrochloride,3,4-dichlorophenyl hydrazine hydrochloride,1-3,4-dichlorophenyl hydrazine hydrochloride,3,4-dichlorophenyl hydrazine monohydrochloride,hydrazine, 3,4-dichlorophenyl-, monohydrochloride,3,4-dichlorophenylhydrazinehydrochloride,pubchem7530,acmc-209f1i,ksc491e2j PubChem CID: 3084323 IUPAC Name: (3,4-dichlorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=C(C=C1NN)Cl)Cl.Cl
| PubChem CID | 3084323 |
|---|---|
| CAS | 19763-90-7 |
| Molecular Weight (g/mol) | 213.486 |
| MDL Number | MFCD00012937 |
| SMILES | C1=CC(=C(C=C1NN)Cl)Cl.Cl |
| Synonym | 3,4-dichlorophenylhydrazine hydrochloride,3,4-dichlorophenyl hydrazine hydrochloride,1-3,4-dichlorophenyl hydrazine hydrochloride,3,4-dichlorophenyl hydrazine monohydrochloride,hydrazine, 3,4-dichlorophenyl-, monohydrochloride,3,4-dichlorophenylhydrazinehydrochloride,pubchem7530,acmc-209f1i,ksc491e2j |
| IUPAC Name | (3,4-dichlorophenyl)hydrazine;hydrochloride |
| InChI Key | WIKZRYSGQPZTMM-UHFFFAOYSA-N |
| Molecular Formula | C6H7Cl3N2 |
4-Chloro-1,2-difluorobenzene, 98%
CAS: 696-02-6 Molecular Formula: C6H3ClF2 Molecular Weight (g/mol): 148.537 MDL Number: MFCD00042572 InChI Key: OPQMRQYYRSTBME-UHFFFAOYSA-N Synonym: 1-chloro-3,4-difluorobenzene,3,4-difluorochlorobenzene,4-chloro-1,2-difluoro-benzene,benzene, 4-chloro-1,2-difluoro,pubchem3417,3,4-diflurochlorobenzene,acmc-209o9n,ksc493g2d,3,4-difluoro-1-chlorobenzene PubChem CID: 136519 IUPAC Name: 4-chloro-1,2-difluorobenzene SMILES: C1=CC(=C(C=C1Cl)F)F
| PubChem CID | 136519 |
|---|---|
| CAS | 696-02-6 |
| Molecular Weight (g/mol) | 148.537 |
| MDL Number | MFCD00042572 |
| SMILES | C1=CC(=C(C=C1Cl)F)F |
| Synonym | 1-chloro-3,4-difluorobenzene,3,4-difluorochlorobenzene,4-chloro-1,2-difluoro-benzene,benzene, 4-chloro-1,2-difluoro,pubchem3417,3,4-diflurochlorobenzene,acmc-209o9n,ksc493g2d,3,4-difluoro-1-chlorobenzene |
| IUPAC Name | 4-chloro-1,2-difluorobenzene |
| InChI Key | OPQMRQYYRSTBME-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClF2 |
1-Chloro-4-fluorobenzene, 98%
CAS: 352-33-0 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000603 InChI Key: RJCGZNCCVKIBHO-UHFFFAOYSA-N Synonym: p-chlorofluorobenzene,p-fluorochlorobenzene,4-chlorofluorobenzene,benzene, 1-chloro-4-fluoro,1-fluoro-4-chlorobenzene,1-chloro-4-fluoro-benzene,4-fluorochlorobenzene,1,4-fluorochlorobenzene,p-chloro-fluorobenzene,pubchem3420 PubChem CID: 9604 IUPAC Name: 1-chloro-4-fluorobenzene SMILES: FC1=CC=C(Cl)C=C1
| PubChem CID | 9604 |
|---|---|
| CAS | 352-33-0 |
| Molecular Weight (g/mol) | 130.55 |
| MDL Number | MFCD00000603 |
| SMILES | FC1=CC=C(Cl)C=C1 |
| Synonym | p-chlorofluorobenzene,p-fluorochlorobenzene,4-chlorofluorobenzene,benzene, 1-chloro-4-fluoro,1-fluoro-4-chlorobenzene,1-chloro-4-fluoro-benzene,4-fluorochlorobenzene,1,4-fluorochlorobenzene,p-chloro-fluorobenzene,pubchem3420 |
| IUPAC Name | 1-chloro-4-fluorobenzene |
| InChI Key | RJCGZNCCVKIBHO-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClF |
4-Iodobenzoyl chloride, 98%
CAS: 1711-02-0 Molecular Formula: C7H4ClIO Molecular Weight (g/mol): 266.462 MDL Number: MFCD00001058 InChI Key: NJAKCIUOTIPYED-UHFFFAOYSA-N Synonym: p-iodobenzoyl chloride,benzoyl chloride, 4-iodo,benzoyl chloride, p-iodo,4-iodobenzoic acid chloride,4-iodobenzoylchloride,4-iodo-benzoyl chloride,4iodobenzoyl chloride,4-iodo-benzoylchlorid,rho-iodobenzoyl chloride,4-iodo benzoyl chloride PubChem CID: 74373 IUPAC Name: 4-iodobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)I
| PubChem CID | 74373 |
|---|---|
| CAS | 1711-02-0 |
| Molecular Weight (g/mol) | 266.462 |
| MDL Number | MFCD00001058 |
| SMILES | C1=CC(=CC=C1C(=O)Cl)I |
| Synonym | p-iodobenzoyl chloride,benzoyl chloride, 4-iodo,benzoyl chloride, p-iodo,4-iodobenzoic acid chloride,4-iodobenzoylchloride,4-iodo-benzoyl chloride,4iodobenzoyl chloride,4-iodo-benzoylchlorid,rho-iodobenzoyl chloride,4-iodo benzoyl chloride |
| IUPAC Name | 4-iodobenzoyl chloride |
| InChI Key | NJAKCIUOTIPYED-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClIO |
2,5-Dibromobenzoic acid, 98%
CAS: 610-71-9 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.92 MDL Number: MFCD00016494 InChI Key: SQQKOTVDGCJJKI-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-dibromo,rarechem fh 1w 0049,pubchem3859,2,5-dibromobenzoicacid,2,5-dibromo-benzoic acid,benzoicacid, 2,5-dibromo,4-09-00-01027 beilstein handbook reference,ksc353s4r,acmc-1b114,2,5-dibromobenzoic acid PubChem CID: 11891 IUPAC Name: 2,5-dibromobenzoic acid SMILES: OC(=O)C1=CC(Br)=CC=C1Br
| PubChem CID | 11891 |
|---|---|
| CAS | 610-71-9 |
| Molecular Weight (g/mol) | 279.92 |
| MDL Number | MFCD00016494 |
| SMILES | OC(=O)C1=CC(Br)=CC=C1Br |
| Synonym | benzoic acid, 2,5-dibromo,rarechem fh 1w 0049,pubchem3859,2,5-dibromobenzoicacid,2,5-dibromo-benzoic acid,benzoicacid, 2,5-dibromo,4-09-00-01027 beilstein handbook reference,ksc353s4r,acmc-1b114,2,5-dibromobenzoic acid |
| IUPAC Name | 2,5-dibromobenzoic acid |
| InChI Key | SQQKOTVDGCJJKI-UHFFFAOYSA-N |
| Molecular Formula | C7H4Br2O2 |
Diphenyl carbonate, 99%
CAS: 102-09-0 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00003037 InChI Key: ROORDVPLFPIABK-UHFFFAOYSA-N Synonym: carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate PubChem CID: 7597 ChEBI: CHEBI:34722 IUPAC Name: diphenyl carbonate SMILES: C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2
| PubChem CID | 7597 |
|---|---|
| CAS | 102-09-0 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:34722 |
| MDL Number | MFCD00003037 |
| SMILES | C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2 |
| Synonym | carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate |
| IUPAC Name | diphenyl carbonate |
| InChI Key | ROORDVPLFPIABK-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
4-(Bromomethyl)benzenesulfonyl chloride, 95%
CAS: 66176-39-4 Molecular Formula: C7H6BrClO2S Molecular Weight (g/mol): 269.537 MDL Number: MFCD00156129 InChI Key: QXTQWYZHHMQSQH-UHFFFAOYSA-N Synonym: 4-bromomethyl benzenesulfonyl chloride,4-bromomethyl benzene-1-sulfonyl chloride,4-bromomethyl benzenesulfonylchloride,alpha-bromo-p-toluenesulphonyl chloride,alpha-bromo-p-toluenesulfonyl chloride,4-bromomethyl benzenesulphonyl chloride,4-bromomethyl benzene-1-sulfonylchloride,buttpark 94\04-08,4-bromomethyl phenyl chlorosulfone,4-bromomethylene benzenesulfonyl chloride PubChem CID: 2734409 IUPAC Name: 4-(bromomethyl)benzenesulfonyl chloride SMILES: C1=CC(=CC=C1CBr)S(=O)(=O)Cl
| PubChem CID | 2734409 |
|---|---|
| CAS | 66176-39-4 |
| Molecular Weight (g/mol) | 269.537 |
| MDL Number | MFCD00156129 |
| SMILES | C1=CC(=CC=C1CBr)S(=O)(=O)Cl |
| Synonym | 4-bromomethyl benzenesulfonyl chloride,4-bromomethyl benzene-1-sulfonyl chloride,4-bromomethyl benzenesulfonylchloride,alpha-bromo-p-toluenesulphonyl chloride,alpha-bromo-p-toluenesulfonyl chloride,4-bromomethyl benzenesulphonyl chloride,4-bromomethyl benzene-1-sulfonylchloride,buttpark 94\04-08,4-bromomethyl phenyl chlorosulfone,4-bromomethylene benzenesulfonyl chloride |
| IUPAC Name | 4-(bromomethyl)benzenesulfonyl chloride |
| InChI Key | QXTQWYZHHMQSQH-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO2S |
p-Toluenesulfonyl isocyanate, 96%, AcroSeal™
CAS: 4083-64-1 Molecular Formula: C8H7NO3S Molecular Weight (g/mol): 197.21 MDL Number: MFCD00002030 InChI Key: VLJQDHDVZJXNQL-UHFFFAOYSA-N Synonym: tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate PubChem CID: 77703 IUPAC Name: 4-methyl-N-(oxomethylidene)benzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C=O
| PubChem CID | 77703 |
|---|---|
| CAS | 4083-64-1 |
| Molecular Weight (g/mol) | 197.21 |
| MDL Number | MFCD00002030 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C=O |
| Synonym | tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate |
| IUPAC Name | 4-methyl-N-(oxomethylidene)benzenesulfonamide |
| InChI Key | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3S |
4-Hydroxy-3-methoxybenzoic acid, 97+%
CAS: 121-34-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002551 InChI Key: WKOLLVMJNQIZCI-UHFFFAOYSA-N Synonym: vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 PubChem CID: 8468 ChEBI: CHEBI:30816 IUPAC Name: 4-hydroxy-3-methoxybenzoic acid SMILES: COC1=CC(=CC=C1O)C(O)=O
| PubChem CID | 8468 |
|---|---|
| CAS | 121-34-6 |
| Molecular Weight (g/mol) | 168.15 |
| ChEBI | CHEBI:30816 |
| MDL Number | MFCD00002551 |
| SMILES | COC1=CC(=CC=C1O)C(O)=O |
| Synonym | vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| InChI Key | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
3-Bromophenylhydrazine hydrochloride, 98%
CAS: 27246-81-7 Molecular Formula: C6H8BrClN2 Molecular Weight (g/mol): 223.50 MDL Number: MFCD00012933 InChI Key: RPYIPFXHIKXRKS-UHFFFAOYSA-N Synonym: 3-bromophenylhydrazine hydrochloride,3-bromophenyl hydrazine hydrochloride,1-3-bromophenyl hydrazine hydrochloride,m-bromophenyl hydrazine hydrochloride,hydrazine, m-bromophenyl-, monohydrochloride,3-bromophenylhydrazinehydrochloride,3-bromophenyl hydrazine hcl,hydrazine, 3-bromophenyl-, monohydrochloride,pubchem23212,acmc-1clhx PubChem CID: 33757 IUPAC Name: (3-bromophenyl)hydrazine;hydrochloride SMILES: [H+].[Cl-].NNC1=CC=CC(Br)=C1
| PubChem CID | 33757 |
|---|---|
| CAS | 27246-81-7 |
| Molecular Weight (g/mol) | 223.50 |
| MDL Number | MFCD00012933 |
| SMILES | [H+].[Cl-].NNC1=CC=CC(Br)=C1 |
| Synonym | 3-bromophenylhydrazine hydrochloride,3-bromophenyl hydrazine hydrochloride,1-3-bromophenyl hydrazine hydrochloride,m-bromophenyl hydrazine hydrochloride,hydrazine, m-bromophenyl-, monohydrochloride,3-bromophenylhydrazinehydrochloride,3-bromophenyl hydrazine hcl,hydrazine, 3-bromophenyl-, monohydrochloride,pubchem23212,acmc-1clhx |
| IUPAC Name | (3-bromophenyl)hydrazine;hydrochloride |
| InChI Key | RPYIPFXHIKXRKS-UHFFFAOYSA-N |
| Molecular Formula | C6H8BrClN2 |
Benzyltriethylammonium bromide, 99%
CAS: 5197-95-5 Molecular Formula: C13H22BrN Molecular Weight (g/mol): 272.23 MDL Number: MFCD00011822 InChI Key: CHQVQXZFZHACQQ-UHFFFAOYSA-M Synonym: benzyltriethylammonium bromide,n-benzyl-n,n-diethylethanaminium bromide,benzyl triethyl ammonium bromide,triethylbenzylammonium bromide,bteab,benzenemethanaminium, n,n,n-triethyl-, bromide,benzyltriethyl ammonium bromide,n-benzyl-n,n,n-triethylammoniumbromide,benzyltriethylazanium bromide,pubchem7797 PubChem CID: 165294 IUPAC Name: benzyl(triethyl)azanium;bromide SMILES: [Br-].CC[N+](CC)(CC)CC1=CC=CC=C1
| PubChem CID | 165294 |
|---|---|
| CAS | 5197-95-5 |
| Molecular Weight (g/mol) | 272.23 |
| MDL Number | MFCD00011822 |
| SMILES | [Br-].CC[N+](CC)(CC)CC1=CC=CC=C1 |
| Synonym | benzyltriethylammonium bromide,n-benzyl-n,n-diethylethanaminium bromide,benzyl triethyl ammonium bromide,triethylbenzylammonium bromide,bteab,benzenemethanaminium, n,n,n-triethyl-, bromide,benzyltriethyl ammonium bromide,n-benzyl-n,n,n-triethylammoniumbromide,benzyltriethylazanium bromide,pubchem7797 |
| IUPAC Name | benzyl(triethyl)azanium;bromide |
| InChI Key | CHQVQXZFZHACQQ-UHFFFAOYSA-M |
| Molecular Formula | C13H22BrN |