Benzene and substituted derivatives
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4,4'-Oxybis(benzenesulfonyl Chloride) 97.0+%, TCI America™
CAS: 121-63-1 Molecular Formula: C12H8Cl2O5S2 Molecular Weight (g/mol): 367.21 MDL Number: MFCD00024884 InChI Key: HJKXLQIPODSWMB-UHFFFAOYSA-N Synonym: 4,4'-bis chlorosulfonyl diphenyl ether,bis 4-chlorosulfonylphenyl ether,4,4'-oxybis benzenesulfonyl chloride,4,4'-oxydibenzenesulfonyl chloride,oxybis benzenesulfonyl chloride,4,4'-oxybenzenesulfonylchloride,benzenesulfonyl chloride, 4,4'-oxybis,oxybis 4-benzenesulfonyl chloride,p,p'-oxybis benzenesulfonyl chloride,phenoxybenzene-4,4'-disulfonyl chloride PubChem CID: 8484 IUPAC Name: 4-[4-(chlorosulfonyl)phenoxy]benzene-1-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)S(Cl)(=O)=O)C=C1
| PubChem CID | 8484 |
|---|---|
| CAS | 121-63-1 |
| Molecular Weight (g/mol) | 367.21 |
| MDL Number | MFCD00024884 |
| SMILES | ClS(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)S(Cl)(=O)=O)C=C1 |
| Synonym | 4,4'-bis chlorosulfonyl diphenyl ether,bis 4-chlorosulfonylphenyl ether,4,4'-oxybis benzenesulfonyl chloride,4,4'-oxydibenzenesulfonyl chloride,oxybis benzenesulfonyl chloride,4,4'-oxybenzenesulfonylchloride,benzenesulfonyl chloride, 4,4'-oxybis,oxybis 4-benzenesulfonyl chloride,p,p'-oxybis benzenesulfonyl chloride,phenoxybenzene-4,4'-disulfonyl chloride |
| IUPAC Name | 4-[4-(chlorosulfonyl)phenoxy]benzene-1-sulfonyl chloride |
| InChI Key | HJKXLQIPODSWMB-UHFFFAOYSA-N |
| Molecular Formula | C12H8Cl2O5S2 |
n-Octyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 1219-38-1 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 MDL Number: MFCD00016482 InChI Key: RIKCMEDSBFQFAL-UHFFFAOYSA-N Synonym: octylparaben,n-octyl 4-hydroxybenzoate,octyl paraben,octyl p-hydroxybenzoate,p-hydroxybenzoic acid octyl ester,benzoic acid, 4-hydroxy-, octyl ester,p-oxybenzoesaureoctylester,4-hydroxybenzoic acid n-octyl ester,unii-4uvk431k6b,p-oxybenzoesaureoctylester german PubChem CID: 14642 IUPAC Name: octyl 4-hydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC=C(O)C=C1
| PubChem CID | 14642 |
|---|---|
| CAS | 1219-38-1 |
| Molecular Weight (g/mol) | 250.34 |
| MDL Number | MFCD00016482 |
| SMILES | CCCCCCCCOC(=O)C1=CC=C(O)C=C1 |
| Synonym | octylparaben,n-octyl 4-hydroxybenzoate,octyl paraben,octyl p-hydroxybenzoate,p-hydroxybenzoic acid octyl ester,benzoic acid, 4-hydroxy-, octyl ester,p-oxybenzoesaureoctylester,4-hydroxybenzoic acid n-octyl ester,unii-4uvk431k6b,p-oxybenzoesaureoctylester german |
| IUPAC Name | octyl 4-hydroxybenzoate |
| InChI Key | RIKCMEDSBFQFAL-UHFFFAOYSA-N |
| Molecular Formula | C15H22O3 |
2-Octadecyl-1,4-dimethoxybenzene, TCI America™
CAS: 88702-69-6 Molecular Formula: C26H46O2 Molecular Weight (g/mol): 390.652 MDL Number: MFCD00142955 InChI Key: ZBJNNOTWURHXIS-UHFFFAOYSA-N Synonym: Octadecylhydroxyquinone Dimethyl Ether PubChem CID: 13173901 IUPAC Name: 1,4-dimethoxy-2-octadecylbenzene SMILES: CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC)OC
| PubChem CID | 13173901 |
|---|---|
| CAS | 88702-69-6 |
| Molecular Weight (g/mol) | 390.652 |
| MDL Number | MFCD00142955 |
| SMILES | CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC)OC |
| Synonym | Octadecylhydroxyquinone Dimethyl Ether |
| IUPAC Name | 1,4-dimethoxy-2-octadecylbenzene |
| InChI Key | ZBJNNOTWURHXIS-UHFFFAOYSA-N |
| Molecular Formula | C26H46O2 |
4-n-Octylbenzoic Acid 97.0+%, TCI America™
CAS: 3575-31-3 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00042649 InChI Key: ZQLDNJKHLQOJGE-UHFFFAOYSA-N Synonym: 4-n-octylbenzoic acid,benzoic acid, 4-octyl,p-octylbenzoic acid,para-octylbenzoic acid,benzoic acid, p-octyl,p-n-octyl benzoic acid,p-octyl benzoic acid,4-n-octylbenzoicacid,p-n-octylbenzoic acid,maybridge1_001984 PubChem CID: 19147 IUPAC Name: 4-octylbenzoic acid SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)O
| PubChem CID | 19147 |
|---|---|
| CAS | 3575-31-3 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00042649 |
| SMILES | CCCCCCCCC1=CC=C(C=C1)C(=O)O |
| Synonym | 4-n-octylbenzoic acid,benzoic acid, 4-octyl,p-octylbenzoic acid,para-octylbenzoic acid,benzoic acid, p-octyl,p-n-octyl benzoic acid,p-octyl benzoic acid,4-n-octylbenzoicacid,p-n-octylbenzoic acid,maybridge1_001984 |
| IUPAC Name | 4-octylbenzoic acid |
| InChI Key | ZQLDNJKHLQOJGE-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
Ethyl Pentafluorobenzoate 98.0+%, TCI America™
CAS: 4522-93-4 Molecular Formula: C9H5F5O2 Molecular Weight (g/mol): 240.13 MDL Number: MFCD00039211 InChI Key: DFUDMSIRGGTHGI-UHFFFAOYSA-N Synonym: ethyl pentafluorobenzoate,ethyl perfluorobenzoate,pentafluorobenzoic acid ethyl ester,2,3,4,5,6-pentafluoro-benzoic acid ethyl ester,benzoic acid, pentafluoro-, ethyl ester,ethylpentafluorobenzoate,acmc-1ajj1,rarechem al bi 0017,perfluorobenzoic acid ethyl ester PubChem CID: 78283 IUPAC Name: ethyl 2,3,4,5,6-pentafluorobenzoate SMILES: CCOC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 78283 |
|---|---|
| CAS | 4522-93-4 |
| Molecular Weight (g/mol) | 240.13 |
| MDL Number | MFCD00039211 |
| SMILES | CCOC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | ethyl pentafluorobenzoate,ethyl perfluorobenzoate,pentafluorobenzoic acid ethyl ester,2,3,4,5,6-pentafluoro-benzoic acid ethyl ester,benzoic acid, pentafluoro-, ethyl ester,ethylpentafluorobenzoate,acmc-1ajj1,rarechem al bi 0017,perfluorobenzoic acid ethyl ester |
| IUPAC Name | ethyl 2,3,4,5,6-pentafluorobenzoate |
| InChI Key | DFUDMSIRGGTHGI-UHFFFAOYSA-N |
| Molecular Formula | C9H5F5O2 |
1-Phenyl-1-trimethylsilyloxyethylene 95.0+%, TCI America™
CAS: 13735-81-4 Molecular Formula: C11H16OSi Molecular Weight (g/mol): 192.333 MDL Number: MFCD00008582 InChI Key: AFFPCIMDERUIST-UHFFFAOYSA-N Synonym: 1-phenyl-1-trimethylsiloxyethylene,trimethyl 1-phenylvinyl oxy silane,1-phenyl-1-trimethylsilyloxyethylene,1-phenyl-1-trimethylsiloxy ethylene,1-phenyl-1-trimethylsilyloxy ethylene,benzene, 1-trimethylsilyl oxy ethenyl,silane, trimethyl 1-phenylethenyl oxy,acmc-209ccf PubChem CID: 117406 IUPAC Name: trimethyl(1-phenylethenoxy)silane SMILES: C[Si](C)(C)OC(=C)C1=CC=CC=C1
| PubChem CID | 117406 |
|---|---|
| CAS | 13735-81-4 |
| Molecular Weight (g/mol) | 192.333 |
| MDL Number | MFCD00008582 |
| SMILES | C[Si](C)(C)OC(=C)C1=CC=CC=C1 |
| Synonym | 1-phenyl-1-trimethylsiloxyethylene,trimethyl 1-phenylvinyl oxy silane,1-phenyl-1-trimethylsilyloxyethylene,1-phenyl-1-trimethylsiloxy ethylene,1-phenyl-1-trimethylsilyloxy ethylene,benzene, 1-trimethylsilyl oxy ethenyl,silane, trimethyl 1-phenylethenyl oxy,acmc-209ccf |
| IUPAC Name | trimethyl(1-phenylethenoxy)silane |
| InChI Key | AFFPCIMDERUIST-UHFFFAOYSA-N |
| Molecular Formula | C11H16OSi |
Phthalamic Acid 98.0+%, TCI America™
CAS: 88-97-1 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD00025476 InChI Key: CYMRPDYINXWJFU-UHFFFAOYSA-N Synonym: phthalamic acid,phthalamidic acid,phthalamide acid,phthalic monoamide,phthalic acid monoamide,o-carbamoylbenzoic acid,benzoic acid, 2-aminocarbonyl,benzoic acid, o-carbamoyl,unii-v344h4pf3y,2-aminocarbonyl benzoic acid PubChem CID: 6957 ChEBI: CHEBI:50736 IUPAC Name: 2-carbamoylbenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)N)C(=O)O
| PubChem CID | 6957 |
|---|---|
| CAS | 88-97-1 |
| Molecular Weight (g/mol) | 165.148 |
| ChEBI | CHEBI:50736 |
| MDL Number | MFCD00025476 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)C(=O)O |
| Synonym | phthalamic acid,phthalamidic acid,phthalamide acid,phthalic monoamide,phthalic acid monoamide,o-carbamoylbenzoic acid,benzoic acid, 2-aminocarbonyl,benzoic acid, o-carbamoyl,unii-v344h4pf3y,2-aminocarbonyl benzoic acid |
| IUPAC Name | 2-carbamoylbenzoic acid |
| InChI Key | CYMRPDYINXWJFU-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
2-(Phenylsulfonylmethyl)benzonitrile 98.0+%, TCI America™
CAS: 82651-72-7 Molecular Formula: C14H11NO2S Molecular Weight (g/mol): 257.307 MDL Number: MFCD06797158 InChI Key: MDVRSLRSVHAHNX-UHFFFAOYSA-N Synonym: 2-(Benzenesulfonylmethyl)benzonitrile, 2-Cyanobenzyl Phenyl Sulfone PubChem CID: 44630459 IUPAC Name: 2-(benzenesulfonylmethyl)benzonitrile SMILES: C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2C#N
| PubChem CID | 44630459 |
|---|---|
| CAS | 82651-72-7 |
| Molecular Weight (g/mol) | 257.307 |
| MDL Number | MFCD06797158 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2C#N |
| Synonym | 2-(Benzenesulfonylmethyl)benzonitrile, 2-Cyanobenzyl Phenyl Sulfone |
| IUPAC Name | 2-(benzenesulfonylmethyl)benzonitrile |
| InChI Key | MDVRSLRSVHAHNX-UHFFFAOYSA-N |
| Molecular Formula | C14H11NO2S |
2-Aminobenzamide 98.0+%, TCI America™
CAS: 88-68-6 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00007981 InChI Key: PXBFMLJZNCDSMP-UHFFFAOYSA-N Synonym: anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van PubChem CID: 6942 IUPAC Name: 2-aminobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)N
| PubChem CID | 6942 |
|---|---|
| CAS | 88-68-6 |
| Molecular Weight (g/mol) | 136.154 |
| MDL Number | MFCD00007981 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)N |
| Synonym | anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van |
| IUPAC Name | 2-aminobenzamide |
| InChI Key | PXBFMLJZNCDSMP-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O |
p-Anisidine Hydrochloride 99.0+%, TCI America™
CAS: 20265-97-8 Molecular Formula: C7H10ClNO Molecular Weight (g/mol): 159.613 MDL Number: MFCD00036388 InChI Key: VQYJLACQFYZHCO-UHFFFAOYSA-N Synonym: p-anisidine hydrochloride,4-methoxyaniline hydrochloride,unii-7c4r75n8vg,benzenamine, 4-methoxy-, hydrochloride,p-anisidine.hcl,p-anisidine hcl,p-anisidinium chloride,4-anisidine hydrochloride,p-anisylamine hydrochloride,p-aminoanisole hydrochloride PubChem CID: 2734956 IUPAC Name: 4-methoxyaniline;hydrochloride SMILES: COC1=CC=C(C=C1)N.Cl
| PubChem CID | 2734956 |
|---|---|
| CAS | 20265-97-8 |
| Molecular Weight (g/mol) | 159.613 |
| MDL Number | MFCD00036388 |
| SMILES | COC1=CC=C(C=C1)N.Cl |
| Synonym | p-anisidine hydrochloride,4-methoxyaniline hydrochloride,unii-7c4r75n8vg,benzenamine, 4-methoxy-, hydrochloride,p-anisidine.hcl,p-anisidine hcl,p-anisidinium chloride,4-anisidine hydrochloride,p-anisylamine hydrochloride,p-aminoanisole hydrochloride |
| IUPAC Name | 4-methoxyaniline;hydrochloride |
| InChI Key | VQYJLACQFYZHCO-UHFFFAOYSA-N |
| Molecular Formula | C7H10ClNO |
tert-Amylbenzene 97.0+%, TCI America™
CAS: 2049-95-8 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00015187 InChI Key: QHTJSSMHBLGUHV-UHFFFAOYSA-N Synonym: tert-amylbenzene,tert-pentylbenzene,2-methyl-2-phenylbutane,1,1-dimethylpropyl benzene,benzene, 1,1-dimethylpropyl,benzene, tert-pentyl,2-phenyl-2-methylbutane,t-amylbenzene,2-methylbutan-2-yl benzene,tert-amyl benzene PubChem CID: 16295 IUPAC Name: 2-methylbutan-2-ylbenzene SMILES: CCC(C)(C)C1=CC=CC=C1
| PubChem CID | 16295 |
|---|---|
| CAS | 2049-95-8 |
| Molecular Weight (g/mol) | 148.249 |
| MDL Number | MFCD00015187 |
| SMILES | CCC(C)(C)C1=CC=CC=C1 |
| Synonym | tert-amylbenzene,tert-pentylbenzene,2-methyl-2-phenylbutane,1,1-dimethylpropyl benzene,benzene, 1,1-dimethylpropyl,benzene, tert-pentyl,2-phenyl-2-methylbutane,t-amylbenzene,2-methylbutan-2-yl benzene,tert-amyl benzene |
| IUPAC Name | 2-methylbutan-2-ylbenzene |
| InChI Key | QHTJSSMHBLGUHV-UHFFFAOYSA-N |
| Molecular Formula | C11H16 |
4-Acetamidobenzoic Acid 98.0+%, TCI America™
CAS: 556-08-1 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002534 InChI Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N Synonym: acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid PubChem CID: 19266 ChEBI: CHEBI:46171 IUPAC Name: 4-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)O
| PubChem CID | 19266 |
|---|---|
| CAS | 556-08-1 |
| Molecular Weight (g/mol) | 179.175 |
| ChEBI | CHEBI:46171 |
| MDL Number | MFCD00002534 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)O |
| Synonym | acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid |
| IUPAC Name | 4-acetamidobenzoic acid |
| InChI Key | QCXJEYYXVJIFCE-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
5-Amino-2,4-dichloroanisole 98.0+%, TCI America™
CAS: 98446-49-2 Molecular Formula: C7H7Cl2NO Molecular Weight (g/mol): 192.039 MDL Number: MFCD00974410 InChI Key: AJROJTARXSATEB-UHFFFAOYSA-N Synonym: 5-amino-2,4-dichloroanisole,2,4-dichloro-5-methoxybenzenamine,4,6-dichloro-m-anisidine,2,4-dichloro-5-methoxy-phenylamine,benzenamine, 2,4-dichloro-5-methoxy,2,4-dichloro-5-methoxyphenylamine,dichloromethoxyaniline,pubchem4393,acmc-209sae,4,5-dichloro-m-anisidine PubChem CID: 1476636 IUPAC Name: 2,4-dichloro-5-methoxyaniline SMILES: COC1=C(C=C(C(=C1)N)Cl)Cl
| PubChem CID | 1476636 |
|---|---|
| CAS | 98446-49-2 |
| Molecular Weight (g/mol) | 192.039 |
| MDL Number | MFCD00974410 |
| SMILES | COC1=C(C=C(C(=C1)N)Cl)Cl |
| Synonym | 5-amino-2,4-dichloroanisole,2,4-dichloro-5-methoxybenzenamine,4,6-dichloro-m-anisidine,2,4-dichloro-5-methoxy-phenylamine,benzenamine, 2,4-dichloro-5-methoxy,2,4-dichloro-5-methoxyphenylamine,dichloromethoxyaniline,pubchem4393,acmc-209sae,4,5-dichloro-m-anisidine |
| IUPAC Name | 2,4-dichloro-5-methoxyaniline |
| InChI Key | AJROJTARXSATEB-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2NO |
2-Amino-4-chlorodiphenyl Ether 98.0+%, TCI America™
CAS: 93-67-4 Molecular Formula: C12H10ClNO Molecular Weight (g/mol): 219.668 MDL Number: MFCD00025217 InChI Key: SXEBHIMOUHBBOS-UHFFFAOYSA-N Synonym: 2-amino-4-chlorophenyl phenyl ether,benzenamine, 5-chloro-2-phenoxy,4-chlor-2-aminodiphenylether,2-amino-4-chlorodiphenyl ether,5-chloro-2-phenoxy-aniline,unii-66sm796mdb,5-chloro-2-phenoxybenzenamine,5-chloro-2-phenoxyphenylamine,2-amino-4-chlorodiphenylether,4-chloro-2-aminodiphenyl ether PubChem CID: 66738 IUPAC Name: 5-chloro-2-phenoxyaniline SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N
| PubChem CID | 66738 |
|---|---|
| CAS | 93-67-4 |
| Molecular Weight (g/mol) | 219.668 |
| MDL Number | MFCD00025217 |
| SMILES | C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N |
| Synonym | 2-amino-4-chlorophenyl phenyl ether,benzenamine, 5-chloro-2-phenoxy,4-chlor-2-aminodiphenylether,2-amino-4-chlorodiphenyl ether,5-chloro-2-phenoxy-aniline,unii-66sm796mdb,5-chloro-2-phenoxybenzenamine,5-chloro-2-phenoxyphenylamine,2-amino-4-chlorodiphenylether,4-chloro-2-aminodiphenyl ether |
| IUPAC Name | 5-chloro-2-phenoxyaniline |
| InChI Key | SXEBHIMOUHBBOS-UHFFFAOYSA-N |
| Molecular Formula | C12H10ClNO |
4-Allyloxy-2-hydroxybenzophenone 98.0+%, TCI America™
CAS: 2549-87-3 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.29 MDL Number: MFCD00191713 InChI Key: GVZIBGFELWPEOC-UHFFFAOYSA-N PubChem CID: 75689 IUPAC Name: 2-benzoyl-5-(prop-2-en-1-yloxy)phenol SMILES: OC1=CC(OCC=C)=CC=C1C(=O)C1=CC=CC=C1
| PubChem CID | 75689 |
|---|---|
| CAS | 2549-87-3 |
| Molecular Weight (g/mol) | 254.29 |
| MDL Number | MFCD00191713 |
| SMILES | OC1=CC(OCC=C)=CC=C1C(=O)C1=CC=CC=C1 |
| IUPAC Name | 2-benzoyl-5-(prop-2-en-1-yloxy)phenol |
| InChI Key | GVZIBGFELWPEOC-UHFFFAOYSA-N |
| Molecular Formula | C16H14O3 |