Benzenoids
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3-Fluorophenol 98.0+%, TCI America™
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CAS: 372-20-3 Molecular Formula: C6H5FO Molecular Weight (g/mol): 112.103 MDL Number: MFCD00002254 InChI Key: SJTBRFHBXDZMPS-UHFFFAOYSA-N Synonym: m-fluorophenol,phenol, 3-fluoro,3-fluoro-phenol,phenol, m-fluoro,meta-fluorophenol,unii-t7oma38487,m-fluoro-phenol,3-fluorphenol,3-fluorophenol,3-fluoro phenol PubChem CID: 9743 IUPAC Name: 3-fluorophenol SMILES: C1=CC(=CC(=C1)F)O
| PubChem CID | 9743 |
|---|---|
| CAS | 372-20-3 |
| Molecular Weight (g/mol) | 112.103 |
| MDL Number | MFCD00002254 |
| SMILES | C1=CC(=CC(=C1)F)O |
| Synonym | m-fluorophenol,phenol, 3-fluoro,3-fluoro-phenol,phenol, m-fluoro,meta-fluorophenol,unii-t7oma38487,m-fluoro-phenol,3-fluorphenol,3-fluorophenol,3-fluoro phenol |
| IUPAC Name | 3-fluorophenol |
| InChI Key | SJTBRFHBXDZMPS-UHFFFAOYSA-N |
| Molecular Formula | C6H5FO |
5-Sulfosalicylic Acid Dihydrate 98.0+%, TCI America™
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CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; bis(methane) SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
| PubChem CID | 2723734 |
|---|---|
| CAS | 5965-83-3 |
| Molecular Weight (g/mol) | 250.27 |
| MDL Number | MFCD00007508,MFCD00149540 |
| SMILES | C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O |
| Synonym | 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd |
| IUPAC Name | 2-hydroxy-5-sulfobenzoic acid; bis(methane) |
| InChI Key | NFYHZVWMQHQKRU-UHFFFAOYSA-N |
| Molecular Formula | C9H14O6S |
1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene 98.0+%, TCI America™
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CAS: 405074-81-9 Molecular Formula: C9HF11O4S2 Molecular Weight (g/mol): 446.205 MDL Number: MFCD04117910 InChI Key: RLLDXJXYMKTGPV-UHFFFAOYSA-N Synonym: alpha,alpha-Bis(trifluoromethanesulfonyl)-2,3,4,5,6-pentafluorotoluene, 2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane PubChem CID: 10203986 IUPAC Name: 1-[bis(trifluoromethylsulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
| PubChem CID | 10203986 |
|---|---|
| CAS | 405074-81-9 |
| Molecular Weight (g/mol) | 446.205 |
| MDL Number | MFCD04117910 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F |
| Synonym | alpha,alpha-Bis(trifluoromethanesulfonyl)-2,3,4,5,6-pentafluorotoluene, 2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane |
| IUPAC Name | 1-[bis(trifluoromethylsulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene |
| InChI Key | RLLDXJXYMKTGPV-UHFFFAOYSA-N |
| Molecular Formula | C9HF11O4S2 |
Ethyl 3-(Chloromethyl)benzoate 96.0+%, TCI America™
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CAS: 54589-54-7 Molecular Formula: C10H11ClO2 Molecular Weight (g/mol): 198.646 InChI Key: ZJNVMXXFCNKXLT-UHFFFAOYSA-N Synonym: 3-(Chloromethyl)benzoic Acid Ethyl Ester PubChem CID: 14812190 IUPAC Name: ethyl 3-(chloromethyl)benzoate SMILES: CCOC(=O)C1=CC(=CC=C1)CCl
| PubChem CID | 14812190 |
|---|---|
| CAS | 54589-54-7 |
| Molecular Weight (g/mol) | 198.646 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)CCl |
| Synonym | 3-(Chloromethyl)benzoic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-(chloromethyl)benzoate |
| InChI Key | ZJNVMXXFCNKXLT-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO2 |
2,5-Dihydroxybenzoic Acid 98.0+%, TCI America™
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CAS: 490-79-9 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002460 InChI Key: WXTMDXOMEHJXQO-UHFFFAOYSA-N Synonym: gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid PubChem CID: 3469 ChEBI: CHEBI:17189 IUPAC Name: 2,5-dihydroxybenzoic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)O
| PubChem CID | 3469 |
|---|---|
| CAS | 490-79-9 |
| Molecular Weight (g/mol) | 154.121 |
| ChEBI | CHEBI:17189 |
| MDL Number | MFCD00002460 |
| SMILES | C1=CC(=C(C=C1O)C(=O)O)O |
| Synonym | gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid |
| IUPAC Name | 2,5-dihydroxybenzoic acid |
| InChI Key | WXTMDXOMEHJXQO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
9,10-Bis(diethylphosphonomethyl)anthracene 98.0+%, TCI America™
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CAS: 60974-92-7 Molecular Formula: C24H32O6P2 Molecular Weight (g/mol): 478.462 InChI Key: PKLFGXZSNISEOV-UHFFFAOYSA-N Synonym: [Anthracene-9,10-diylbis(methylene)]bisphosphonic Acid Tetraethyl Ester, Tetraethyl [Anthracene-9,10-diylbis(methylene)]bisphosphonate PubChem CID: 16116648 IUPAC Name: 9,10-bis(diethoxyphosphorylmethyl)anthracene SMILES: CCOP(=O)(CC1=C2C=CC=CC2=C(C3=CC=CC=C31)CP(=O)(OCC)OCC)OCC
| PubChem CID | 16116648 |
|---|---|
| CAS | 60974-92-7 |
| Molecular Weight (g/mol) | 478.462 |
| SMILES | CCOP(=O)(CC1=C2C=CC=CC2=C(C3=CC=CC=C31)CP(=O)(OCC)OCC)OCC |
| Synonym | [Anthracene-9,10-diylbis(methylene)]bisphosphonic Acid Tetraethyl Ester, Tetraethyl [Anthracene-9,10-diylbis(methylene)]bisphosphonate |
| IUPAC Name | 9,10-bis(diethoxyphosphorylmethyl)anthracene |
| InChI Key | PKLFGXZSNISEOV-UHFFFAOYSA-N |
| Molecular Formula | C24H32O6P2 |
2-Bromo-5-fluorobenzotrifluoride 97.0+%, TCI America™
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CAS: 40161-55-5 Molecular Formula: C7H3BrF4 Molecular Weight (g/mol): 243.00 MDL Number: MFCD00040937 InChI Key: AIDVAZGOACECLJ-UHFFFAOYSA-N Synonym: 2-bromo-5-fluorobenzotrifluoride,1-bromo-4-fluoro-2-trifluoromethyl benzene,1-bromo-2-trifluoromethyl-4-fluorobenzene,4-fluoro-2-trifluoromethyl bromobenzene,2-bromo-alpha,alpha,alpha,5-tetrafluorotoluene,benzene, 1-bromo-4-fluoro-2-trifluoromethyl,2-bromo-5-fluoro benzotrifluoride,pubchem1637,pubchem1643 PubChem CID: 520983 IUPAC Name: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene SMILES: FC1=CC(=C(Br)C=C1)C(F)(F)F
| PubChem CID | 520983 |
|---|---|
| CAS | 40161-55-5 |
| Molecular Weight (g/mol) | 243.00 |
| MDL Number | MFCD00040937 |
| SMILES | FC1=CC(=C(Br)C=C1)C(F)(F)F |
| Synonym | 2-bromo-5-fluorobenzotrifluoride,1-bromo-4-fluoro-2-trifluoromethyl benzene,1-bromo-2-trifluoromethyl-4-fluorobenzene,4-fluoro-2-trifluoromethyl bromobenzene,2-bromo-alpha,alpha,alpha,5-tetrafluorotoluene,benzene, 1-bromo-4-fluoro-2-trifluoromethyl,2-bromo-5-fluoro benzotrifluoride,pubchem1637,pubchem1643 |
| IUPAC Name | 1-bromo-4-fluoro-2-(trifluoromethyl)benzene |
| InChI Key | AIDVAZGOACECLJ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF4 |
Bis(4-hydroxyphenyl) Sulfone 98.0+%, TCI America™
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CAS: 80-09-1 Molecular Formula: C12H10O4S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00002350 InChI Key: VPWNQTHUCYMVMZ-UHFFFAOYSA-N Synonym: 4,4'-sulfonyldiphenol,bisphenol s,bis 4-hydroxyphenyl sulfone,phenol, 4,4'-sulfonylbis,4,4'-dihydroxydiphenyl sulfone,4-hydroxyphenyl sulfone,bis p-hydroxyphenyl sulfone,4,4'-sulfonylbisphenol,diphone c PubChem CID: 6626 ChEBI: CHEBI:34372 IUPAC Name: 4-(4-hydroxybenzenesulfonyl)phenol SMILES: OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1
| PubChem CID | 6626 |
|---|---|
| CAS | 80-09-1 |
| Molecular Weight (g/mol) | 250.27 |
| ChEBI | CHEBI:34372 |
| MDL Number | MFCD00002350 |
| SMILES | OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 |
| Synonym | 4,4'-sulfonyldiphenol,bisphenol s,bis 4-hydroxyphenyl sulfone,phenol, 4,4'-sulfonylbis,4,4'-dihydroxydiphenyl sulfone,4-hydroxyphenyl sulfone,bis p-hydroxyphenyl sulfone,4,4'-sulfonylbisphenol,diphone c |
| IUPAC Name | 4-(4-hydroxybenzenesulfonyl)phenol |
| InChI Key | VPWNQTHUCYMVMZ-UHFFFAOYSA-N |
| Molecular Formula | C12H10O4S |
2-Isopropylbenzenethiol 95.0+%, TCI America™
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CAS: 6262-87-9 Molecular Formula: C9H12S Molecular Weight (g/mol): 152.255 MDL Number: MFCD00004837 InChI Key: QEDRUXIMTJVXFL-UHFFFAOYSA-N Synonym: 2-Isopropylthiophenol PubChem CID: 96003 IUPAC Name: 2-propan-2-ylbenzenethiol SMILES: CC(C)C1=CC=CC=C1S
| PubChem CID | 96003 |
|---|---|
| CAS | 6262-87-9 |
| Molecular Weight (g/mol) | 152.255 |
| MDL Number | MFCD00004837 |
| SMILES | CC(C)C1=CC=CC=C1S |
| Synonym | 2-Isopropylthiophenol |
| IUPAC Name | 2-propan-2-ylbenzenethiol |
| InChI Key | QEDRUXIMTJVXFL-UHFFFAOYSA-N |
| Molecular Formula | C9H12S |
1,4,5,8-Naphthalenetetracarboxylic Acid (contains Monoanhydride) 60.0+%, TCI America™
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CAS: 128-97-2 Molecular Formula: C14H8O8 Molecular Weight (g/mol): 304.21 MDL Number: MFCD00004012 InChI Key: OLAPPGSPBNVTRF-UHFFFAOYSA-N PubChem CID: 31422 IUPAC Name: naphthalene-1,4,5,8-tetracarboxylic acid SMILES: OC(=O)C1=CC=C(C(O)=O)C2=C(C=CC(C(O)=O)=C12)C(O)=O
| PubChem CID | 31422 |
|---|---|
| CAS | 128-97-2 |
| Molecular Weight (g/mol) | 304.21 |
| MDL Number | MFCD00004012 |
| SMILES | OC(=O)C1=CC=C(C(O)=O)C2=C(C=CC(C(O)=O)=C12)C(O)=O |
| IUPAC Name | naphthalene-1,4,5,8-tetracarboxylic acid |
| InChI Key | OLAPPGSPBNVTRF-UHFFFAOYSA-N |
| Molecular Formula | C14H8O8 |
2-Fluorobenzenesulfonamide 98.0+%, TCI America™
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CAS: 30058-40-3 Molecular Formula: C6H6FNO2S Molecular Weight (g/mol): 175.18 MDL Number: MFCD00042283 InChI Key: WFLBWYLZCQOPCA-UHFFFAOYSA-N Synonym: 2-fluorobenzene-1-sulfonamide,benzenesulfonamide, 2-fluoro,2-fbsa,2weg,pubchem11761,acmc-209hcr,2-fluorophenylsulfonamide,2-sulfamoyl fluorobenzene,2-fluorobenzenesulphonamide,2-flourobenzene sulfonamide PubChem CID: 193663 IUPAC Name: 2-fluorobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=CC=C1F
| PubChem CID | 193663 |
|---|---|
| CAS | 30058-40-3 |
| Molecular Weight (g/mol) | 175.18 |
| MDL Number | MFCD00042283 |
| SMILES | NS(=O)(=O)C1=CC=CC=C1F |
| Synonym | 2-fluorobenzene-1-sulfonamide,benzenesulfonamide, 2-fluoro,2-fbsa,2weg,pubchem11761,acmc-209hcr,2-fluorophenylsulfonamide,2-sulfamoyl fluorobenzene,2-fluorobenzenesulphonamide,2-flourobenzene sulfonamide |
| IUPAC Name | 2-fluorobenzene-1-sulfonamide |
| InChI Key | WFLBWYLZCQOPCA-UHFFFAOYSA-N |
| Molecular Formula | C6H6FNO2S |
N-(Diphenylmethylene)glycine tert-Butyl Ester 98.0+%, TCI America™
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CAS: 81477-94-3 Molecular Formula: C19H21NO2 Molecular Weight (g/mol): 295.382 MDL Number: MFCD00134280 InChI Key: YSHDPXQDVKNPKA-UHFFFAOYSA-N Synonym: n-diphenylmethylene glycine tert-butyl ester,diphenylmethylene-glycine t-butyl ester,tert-butyl 2-diphenylmethylene amino acetate,n-diphenylmethylene glycerine tert-butyl ester,tert-butyl 2-diphenylmethyleneamino acetate,diphenylmethyleneamino acetic acid tert-butyl ester,tert-butyl diphenylmethyleneamino acetate,n-diphenylmethylene glycinetert-butylester,tert-butyl 2-benzhydrylideneamino acetate,glycine, n-diphenylmethylene-, 1,1-dimethylethyl ester PubChem CID: 688171 IUPAC Name: tert-butyl 2-(benzhydrylideneamino)acetate SMILES: CC(C)(C)OC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2
| PubChem CID | 688171 |
|---|---|
| CAS | 81477-94-3 |
| Molecular Weight (g/mol) | 295.382 |
| MDL Number | MFCD00134280 |
| SMILES | CC(C)(C)OC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2 |
| Synonym | n-diphenylmethylene glycine tert-butyl ester,diphenylmethylene-glycine t-butyl ester,tert-butyl 2-diphenylmethylene amino acetate,n-diphenylmethylene glycerine tert-butyl ester,tert-butyl 2-diphenylmethyleneamino acetate,diphenylmethyleneamino acetic acid tert-butyl ester,tert-butyl diphenylmethyleneamino acetate,n-diphenylmethylene glycinetert-butylester,tert-butyl 2-benzhydrylideneamino acetate,glycine, n-diphenylmethylene-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 2-(benzhydrylideneamino)acetate |
| InChI Key | YSHDPXQDVKNPKA-UHFFFAOYSA-N |
| Molecular Formula | C19H21NO2 |
Rhododendrol 98.0+%, TCI America™
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CAS: 69617-84-1 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD01117650 InChI Key: SFUCGABQOMYVJW-UHFFFAOYNA-N Synonym: 4-(4-Hydroxyphenyl)-2-butanol, 4-(3-Hydroxybutyl)phenol PubChem CID: 97790 ChEBI: CHEBI:81278 IUPAC Name: 4-(3-hydroxybutyl)phenol SMILES: CC(O)CCC1=CC=C(O)C=C1
| PubChem CID | 97790 |
|---|---|
| CAS | 69617-84-1 |
| Molecular Weight (g/mol) | 166.22 |
| ChEBI | CHEBI:81278 |
| MDL Number | MFCD01117650 |
| SMILES | CC(O)CCC1=CC=C(O)C=C1 |
| Synonym | 4-(4-Hydroxyphenyl)-2-butanol, 4-(3-Hydroxybutyl)phenol |
| IUPAC Name | 4-(3-hydroxybutyl)phenol |
| InChI Key | SFUCGABQOMYVJW-UHFFFAOYNA-N |
| Molecular Formula | C10H14O2 |
1,8-Diiodoanthracene 98.0+%, TCI America™
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CAS: 189105-78-0 Molecular Formula: C14H8I2 Molecular Weight (g/mol): 430.027 InChI Key: BBKOQZVGDMYPGV-UHFFFAOYSA-N PubChem CID: 10836367 IUPAC Name: 1,8-diiodoanthracene SMILES: C1=CC2=CC3=C(C=C2C(=C1)I)C(=CC=C3)I
| PubChem CID | 10836367 |
|---|---|
| CAS | 189105-78-0 |
| Molecular Weight (g/mol) | 430.027 |
| SMILES | C1=CC2=CC3=C(C=C2C(=C1)I)C(=CC=C3)I |
| IUPAC Name | 1,8-diiodoanthracene |
| InChI Key | BBKOQZVGDMYPGV-UHFFFAOYSA-N |
| Molecular Formula | C14H8I2 |
Chloromethyl Phenyl Sulfone 98.0+%, TCI America™
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CAS: 7205-98-3 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.641 MDL Number: MFCD00007551 InChI Key: NXAIQSVCXQZNRY-UHFFFAOYSA-N Synonym: chloromethyl phenyl sulfone,chloromethyl sulfonyl benzene,phenyl chloromethyl sulfone,chloromethylphenylsulfone,benzene, chloromethyl sulfonyl,chloromethylphenyl sulfone,1-chloromethylsulfonyl benzene,chloromethyl sulphonyl benzene PubChem CID: 81625 IUPAC Name: chloromethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)CCl
| PubChem CID | 81625 |
|---|---|
| CAS | 7205-98-3 |
| Molecular Weight (g/mol) | 190.641 |
| MDL Number | MFCD00007551 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CCl |
| Synonym | chloromethyl phenyl sulfone,chloromethyl sulfonyl benzene,phenyl chloromethyl sulfone,chloromethylphenylsulfone,benzene, chloromethyl sulfonyl,chloromethylphenyl sulfone,1-chloromethylsulfonyl benzene,chloromethyl sulphonyl benzene |
| IUPAC Name | chloromethylsulfonylbenzene |
| InChI Key | NXAIQSVCXQZNRY-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO2S |