Benzene and substituted derivatives
Benzene and substituted derivatives
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Sodium Salicylate, 99%, Thermo Scientific Chemicals
CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
PubChem CID | 16760658 |
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CAS | 54-21-7 |
Molecular Weight (g/mol) | 160.104 |
ChEBI | CHEBI:9180 |
MDL Number | MFCD00002440 |
SMILES | C1=CC=C(C(=C1)C(=O)[O-])O.[Na+] |
Synonym | sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl |
IUPAC Name | sodium;2-hydroxybenzoate |
InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
Molecular Formula | C7H5NaO3 |
p-Toluenesulfonyl Chloride 99.0+%, TCI America™
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CAS: 98-59-9 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.64 MDL Number: MFCD00007450 InChI Key: YYROPELSRYBVMQ-UHFFFAOYSA-N Synonym: tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride PubChem CID: 7397 IUPAC Name: 4-methylbenzene-1-sulfonyl chloride SMILES: CC1=CC=C(C=C1)S(Cl)(=O)=O
PubChem CID | 7397 |
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CAS | 98-59-9 |
Molecular Weight (g/mol) | 190.64 |
MDL Number | MFCD00007450 |
SMILES | CC1=CC=C(C=C1)S(Cl)(=O)=O |
Synonym | tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride |
IUPAC Name | 4-methylbenzene-1-sulfonyl chloride |
InChI Key | YYROPELSRYBVMQ-UHFFFAOYSA-N |
Molecular Formula | C7H7ClO2S |
Sodium Salicylate (Powder/Certified), Fisher Chemical
CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
PubChem CID | 16760658 |
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CAS | 54-21-7 |
Molecular Weight (g/mol) | 160.104 |
ChEBI | CHEBI:9180 |
MDL Number | MFCD00002440 |
SMILES | C1=CC=C(C(=C1)C(=O)[O-])O.[Na+] |
Synonym | sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl |
IUPAC Name | sodium;2-hydroxybenzoate |
InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
Molecular Formula | C7H5NaO3 |
2,4-Dinitrophenylhydrazine Hydrochloride 98.0+%, TCI America™
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CAS: 55907-61-4 Molecular Formula: C6H7ClN4O4 Molecular Weight (g/mol): 234.60 MDL Number: MFCD00050688 InChI Key: PUYFAZQODQZOFK-UHFFFAOYSA-N PubChem CID: 5463312 IUPAC Name: hydrogen (2,4-dinitrophenyl)hydrazine chloride SMILES: [H+].[Cl-].NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
PubChem CID | 5463312 |
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CAS | 55907-61-4 |
Molecular Weight (g/mol) | 234.60 |
MDL Number | MFCD00050688 |
SMILES | [H+].[Cl-].NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
IUPAC Name | hydrogen (2,4-dinitrophenyl)hydrazine chloride |
InChI Key | PUYFAZQODQZOFK-UHFFFAOYSA-N |
Molecular Formula | C6H7ClN4O4 |
Benzyl alcohol, 99%, Thermo Scientific Chemicals
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
PubChem CID | 244 |
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CAS | 100-51-6 |
Molecular Weight (g/mol) | 108.14 |
ChEBI | CHEBI:17987 |
MDL Number | MFCD00004599,MFCD03792087 |
SMILES | OCC1=CC=CC=C1 |
Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
IUPAC Name | phenylmethanol |
InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
Molecular Formula | C7H8O |
Benzyl Alcohol (Certified ACS), Fisher Chemical™
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
PubChem CID | 244 |
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CAS | 100-51-6 |
Molecular Weight (g/mol) | 108.14 |
ChEBI | CHEBI:17987 |
MDL Number | MFCD00004599,MFCD03792087 |
SMILES | OCC1=CC=CC=C1 |
Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
IUPAC Name | phenylmethanol |
InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
Molecular Formula | C7H8O |
Sodium Salicylate (Small Crystals, Free Flowing/USP), Fisher Chemical™
CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
PubChem CID | 16760658 |
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CAS | 54-21-7 |
Molecular Weight (g/mol) | 160.104 |
ChEBI | CHEBI:9180 |
MDL Number | MFCD00002440 |
SMILES | C1=CC=C(C(=C1)C(=O)[O-])O.[Na+] |
Synonym | sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl |
IUPAC Name | sodium;2-hydroxybenzoate |
InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
Molecular Formula | C7H5NaO3 |
p-Dimethylaminobenzaldehyde (Certified ACS), Fisher Chemical™
CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
PubChem CID | 7479 |
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CAS | 100-10-7 |
Molecular Weight (g/mol) | 149.19 |
MDL Number | MFCD00003381 |
SMILES | CN(C)C1=CC=C(C=O)C=C1 |
Synonym | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
IUPAC Name | 4-(dimethylamino)benzaldehyde |
InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
Molecular Formula | C9H11NO |
2,6-Di-tert-butyl-p-cresol 99.0+%, TCI America™
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CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
PubChem CID | 31404 |
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CAS | 128-37-0 |
Molecular Weight (g/mol) | 220.356 |
ChEBI | CHEBI:34247 |
MDL Number | MFCD00011644 |
SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
Synonym | 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht |
IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
InChI Key | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
Molecular Formula | C15H24O |
Benzyl Bromide (stabilized with Propylene Oxide) 98.0+%, TCI America™
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CAS: 100-39-0 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.037 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr
PubChem CID | 7498 |
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CAS | 100-39-0 |
Molecular Weight (g/mol) | 171.037 |
ChEBI | CHEBI:59858 |
MDL Number | MFCD00000172 |
SMILES | C1=CC=C(C=C1)CBr |
Synonym | benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite |
IUPAC Name | bromomethylbenzene |
InChI Key | AGEZXYOZHKGVCM-UHFFFAOYSA-N |
Molecular Formula | C7H7Br |
Tris(pentafluorophenyl)borane 98.0+%, TCI America™
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CAS: 1109-15-5 Molecular Formula: C18BF15 Molecular Weight (g/mol): 511.98 MDL Number: MFCD00269813 InChI Key: OBAJXDYVZBHCGT-UHFFFAOYSA-N Synonym: tris pentafluorophenyl borane,tris perfluorophenyl borane,tris pentafluorophenyl boron,tris 2,3,4,5,6-pentafluorophenyl borane,unii-i3wu5e2578,tris pentafluorophenyl-borane,borane, tris pentafluorophenyl,borane, tris 2,3,4,5,6-pentafluorophenyl,perfluorotriphenylboron,zlchem 1272 PubChem CID: 582056 IUPAC Name: tris(2,3,4,5,6-pentafluorophenyl)borane SMILES: FC1=C(F)C(F)=C(B(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F
PubChem CID | 582056 |
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CAS | 1109-15-5 |
Molecular Weight (g/mol) | 511.98 |
MDL Number | MFCD00269813 |
SMILES | FC1=C(F)C(F)=C(B(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F |
Synonym | tris pentafluorophenyl borane,tris perfluorophenyl borane,tris pentafluorophenyl boron,tris 2,3,4,5,6-pentafluorophenyl borane,unii-i3wu5e2578,tris pentafluorophenyl-borane,borane, tris pentafluorophenyl,borane, tris 2,3,4,5,6-pentafluorophenyl,perfluorotriphenylboron,zlchem 1272 |
IUPAC Name | tris(2,3,4,5,6-pentafluorophenyl)borane |
InChI Key | OBAJXDYVZBHCGT-UHFFFAOYSA-N |
Molecular Formula | C18BF15 |
Benzyl alcohol, ACS, 99+%, Thermo Scientific Chemicals
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
PubChem CID | 244 |
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CAS | 100-51-6 |
Molecular Weight (g/mol) | 108.14 |
ChEBI | CHEBI:17987 |
MDL Number | MFCD00004599,MFCD03792087 |
SMILES | OCC1=CC=CC=C1 |
Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
IUPAC Name | phenylmethanol |
InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
Molecular Formula | C7H8O |
1,5-Diphenylcarbazide, ACS, Thermo Scientific Chemicals
CAS: 140-22-7 Molecular Formula: C13H14N4O Molecular Weight (g/mol): 242.282 MDL Number: MFCD00003013 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
PubChem CID | 8789 |
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CAS | 140-22-7 |
Molecular Weight (g/mol) | 242.282 |
ChEBI | CHEBI:4641 |
MDL Number | MFCD00003013 |
SMILES | C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2 |
Synonym | 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl |
IUPAC Name | 1,3-dianilinourea |
InChI Key | KSPIHGBHKVISFI-UHFFFAOYSA-N |
Molecular Formula | C13H14N4O |
Terephthalic Acid 99.0+%, TCI America™
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CAS: 100-21-0 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.132 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 |
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CAS | 100-21-0 |
Molecular Weight (g/mol) | 166.132 |
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 |
XTT sodium salt, Thermo Scientific Chemicals
CAS: 111072-31-2 Molecular Formula: C22H16N7NaO13S2 Molecular Weight (g/mol): 673.52 MDL Number: MFCD00083517 InChI Key: JACYMBNQPPWQML-UHFFFAOYSA-M Synonym: xtt PubChem CID: 131668615 IUPAC Name: sodium;2-(2-methoxy-4-nitro-5-sulfonatophenyl)-3-(2-methoxy-4-nitro-5-sulfophenyl)-N-phenyltetrazol-3-ium-5-carboximidate SMILES: [Na+].COC1=C(C=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O)N1N=C(N=[N+]1C1=C(OC)C=C(C(=C1)S([O-])(=O)=O)[N+]([O-])=O)C(=O)NC1=CC=CC=C1
PubChem CID | 131668615 |
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CAS | 111072-31-2 |
Molecular Weight (g/mol) | 673.52 |
MDL Number | MFCD00083517 |
SMILES | [Na+].COC1=C(C=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O)N1N=C(N=[N+]1C1=C(OC)C=C(C(=C1)S([O-])(=O)=O)[N+]([O-])=O)C(=O)NC1=CC=CC=C1 |
Synonym | xtt |
IUPAC Name | sodium;2-(2-methoxy-4-nitro-5-sulfonatophenyl)-3-(2-methoxy-4-nitro-5-sulfophenyl)-N-phenyltetrazol-3-ium-5-carboximidate |
InChI Key | JACYMBNQPPWQML-UHFFFAOYSA-M |
Molecular Formula | C22H16N7NaO13S2 |