Benzenoids
Thermo Scientific Chemicals Acid Fuchsin sodium salt
CAS: 3244-88-0 Molecular Formula: C20H19N3Na2O9S3 Molecular Weight (g/mol): 587.544 MDL Number: MFCD00013286 InChI Key: VCEFFPMSOGDMJX-UHFFFAOYSA-N Synonym: acid fuchsin,acidal fuchsine,acid fuchsine,acidal magenta,fuchsine acid,fuchsin acid,p-fuchsine acid,acid fuchsine n,acid fuchsine o,acid fuchsine s PubChem CID: 131852436 IUPAC Name: 3-[bis(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonic acid;sodium SMILES: CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)O)C3=CC(=C(C=C3)N)S(=O)(=O)O)C=C(C1=N)S(=O)(=O)O.[Na].[Na]
3-Benzylbenzeneboronic acid pinacol ester, 97%
CAS: 1073355-05-1 Molecular Formula: C19H23BO2 Molecular Weight (g/mol): 294.201 MDL Number: MFCD09266179 InChI Key: VNZSTZMLJUPNQM-UHFFFAOYSA-N Synonym: 2-3-benzylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-benzylphenylboronic acid pinacol ester,3-benzylbenzeneboronic acid pinacol ester,amtb038 PubChem CID: 46739037 IUPAC Name: 2-(3-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC3=CC=CC=C3
3,3-Diphenylpropylamine, 97%
CAS: 5586-73-2 Molecular Formula: C15H17N Molecular Weight (g/mol): 211.308 MDL Number: MFCD00008202 InChI Key: KISZTEOELCMZPY-UHFFFAOYSA-N Synonym: 3,3-diphenylpropylamine,benzenepropanamine, .gamma.-phenyl,3-3-diphenylpropylamine,3,3-diphenylpropan-1-amin,acmc-209lpx,3.3-diphenylpropylamine,3,3 diphenylpropylamine,3,3-diphenyl propylamine,3,3-diphenyl-propylamine,3,3-diphenylpropylamine e PubChem CID: 79698 IUPAC Name: 3,3-diphenylpropan-1-amine SMILES: C1=CC=C(C=C1)C(CCN)C2=CC=CC=C2
(S)-(-)-1,1,2-Triphenyl-1,2-ethanediol, 98%, Thermo Scientific Chemicals
CAS: 108998-83-0 Molecular Formula: C20H18O2 Molecular Weight (g/mol): 290.362 MDL Number: MFCD00075492 InChI Key: GWVWUZJOQHWMFB-IBGZPJMESA-N Synonym: s---1,1,2-triphenylethane-1,2-diol,s---1,1,2-triphenyl-1,2-ethanediol,s-1,1,2-triphenylethane-1,2-diol,2s-1,1,2-triphenylethane-1,2-diol,s-1,1,2-triphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2-triphenyl-, 2s,1,1,2-triphenyl-ethane-1,2-diol,s-1,1,2-triphenyl-ethane-1,2-diol,s-triphenyl-ethane-1,2-diol,s---triphenylethylene glycol PubChem CID: 7000031 IUPAC Name: (2S)-1,1,2-triphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
Aluminon, ACS
CAS: 569-58-4 Molecular Formula: C22H23N3O9 Molecular Weight (g/mol): 473.438 MDL Number: MFCD00040925 InChI Key: AIPNSHNRCQOTRI-UHFFFAOYSA-N Synonym: aluminon,ammonium aurintricarboxylate,aurintricarboxylic acid ammonium salt,aurintricarboxylic acid, acs PubChem CID: 54729869 ChEBI: CHEBI:87398 IUPAC Name: triazanium;5-[(3-carboxy-4-oxidophenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-oxidobenzoate SMILES: C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)[O-])C(=O)[O-])C(=O)O)[O-].[NH4+].[NH4+].[NH4+]
4-Chloro-2-methylphenol, 97%
CAS: 1570-64-5 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00002321 InChI Key: RHPUJHQBPORFGV-UHFFFAOYSA-N Synonym: 4-chloro-o-cresol,2-methyl-4-chlorophenol,4-chloro-2-cresol,p-chloro-o-cresol,phenol, 4-chloro-2-methyl,o-cresol, 4-chloro,4-chloro-2-methyl phenol,4-chloro-2-methyl-phenol,5-chloro-2-hydroxytoluene,unii-297v63w9ri PubChem CID: 14855 ChEBI: CHEBI:1800 IUPAC Name: 4-chloro-2-methylphenol SMILES: CC1=C(C=CC(=C1)Cl)O
5-Methyl-2-nitrophenol, 97%
CAS: 700-38-9 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007111 InChI Key: NQXUSSVLFOBRSE-UHFFFAOYSA-N Synonym: 6-nitro-m-cresol,phenol, 5-methyl-2-nitro,3-hydroxy-4-nitrotoluene,6-nitro-3-cresol,3-methyl-6-nitrophenol,m-cresol, 6-nitro,5-methyl-2-nitro-phenol,unii-z0b5eo9752,6-nitro-m-creso PubChem CID: 12788 IUPAC Name: 5-methyl-2-nitrophenol SMILES: CC1=CC=C(C(O)=C1)[N+]([O-])=O
p-Cresol, Puriss p.a., ≥99.0% (GC), Solstice
CAS: 106-44-5 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00002376 InChI Key: IWDCLRJOBJJRNH-UHFFFAOYSA-N Synonym: p-cresol,4-cresol,4-hydroxytoluene,p-methylphenol,phenol, 4-methyl,p-hydroxytoluene,p-tolyl alcohol,p-kresol,para-cresol,p-oxytoluene PubChem CID: 2879 ChEBI: CHEBI:17847 IUPAC Name: 4-methylphenol SMILES: CC1=CC=C(C=C1)O
4-Hydroxy-3,5-dimethylbenzoic acid, 98%
CAS: 4919-37-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016536 InChI Key: OMNHTTWQSSUZHO-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3,5-dimethyl,pubchem16247,acmc-209kf7,ksc496e2b,omnhttwqssuzho-uhfffaoysa,3.5-dimethyl-4-hydroxybenzoic acid,3,5-dimethyl-4-hydroxy-benzoic acid,4-hydroxy-3,5-dimethyl-benzoic acid PubChem CID: 138387 IUPAC Name: 4-hydroxy-3,5-dimethylbenzoic acid SMILES: CC1=CC(=CC(=C1O)C)C(=O)O
2-Fluoro-5-methylphenol, 97%
CAS: 63762-79-8 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00190101 InChI Key: XEHPMVZYZDQLDN-UHFFFAOYSA-N Synonym: phenol, 2-fluoro-5-methyl,2-fluoro-5-methyl-phenol,4-fluoro-3-hydroxytoluene,6-fluoro-m-cresol,6-fluoo-m-cresol,pubchem1498,acmc-209vyr,2-fluoro-5-methyl phenol,2-fluoranyl-5-methyl-phenol,ksc494c5d PubChem CID: 182387 IUPAC Name: 2-fluoro-5-methylphenol SMILES: CC1=CC(=C(C=C1)F)O
4-Amino-3-methylphenol, 98%
CAS: 2835-99-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00007871 InChI Key: QGNGOGOOPUYKMC-UHFFFAOYSA-N Synonym: 4-amino-m-cresol,4-hydroxy-2-methylaniline,3-methyl-4-aminophenol,p-amino-m-cresol,phenol, 4-amino-3-methyl,p-hydroxy-o-toluidine,2-methyl-4-hydroxyaniline,2-amino-5-hydroxytoluene,m-cresol, 4-amino,4-amino-3-cresol PubChem CID: 17819 ChEBI: CHEBI:55546 IUPAC Name: 4-amino-3-methylphenol SMILES: CC1=C(C=CC(=C1)O)N
2,3,6-Trimethylphenol, 95%
CAS: 2416-94-6 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00002229 InChI Key: QQOMQLYQAXGHSU-UHFFFAOYSA-N Synonym: 3-hydroxypseudocumene,phenol, 2,3,6-trimethyl,1-hydroxy-2,3,6-trimethylbenzene,2,3,6-trimethyl-phenol,unii-05wkl2l5lj,2,3,6-trimethyl phenol,05wkl2l5lj,dsstox_cid_2187,dsstox_rid_76518,dsstox_gsid_22187 PubChem CID: 17016 IUPAC Name: 2,3,6-trimethylphenol SMILES: CC1=CC=C(C)C(O)=C1C
2,3,5-Trimethylphenol, 98+%
CAS: 697-82-5 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002228 InChI Key: OGRAOKJKVGDSFR-UHFFFAOYSA-N Synonym: isopseudocumenol,phenol, 2,3,5-trimethyl,1-hydroxy-2,3,5-trimethylbenzene,unii-1s1061zbq1,phenol, 2,3,5 or 3,4,5-trimethyl,pubchem2249,2,3,5-trimethyphenol,phenol,3,5-trimethyl,2,3,5-trimethyl-phenol,6-hydroxypseudocumene PubChem CID: 12769 ChEBI: CHEBI:38570 IUPAC Name: 2,3,5-trimethylphenol SMILES: CC1=CC(=C(C(=C1)O)C)C
4-Bromo-3,5-dimethylphenol, 99%
CAS: 7463-51-6 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.06 MDL Number: MFCD00002315 InChI Key: WMUWDPLTTLJNPE-UHFFFAOYSA-N Synonym: 4-bromo-3,5-xylenol,4-bromo-3,5-dimethyl phenol,phenol, 4-bromo-3,5-dimethyl,3,5-dimethyl-4-bromophenol,4-bromo-3,5-dimethyl-phenol,zlchem 241,pubchem3767,acmc-209ovl,3,5-xylenol, 4-bromo,akos bbb/606 PubChem CID: 81970 IUPAC Name: 4-bromo-3,5-dimethylphenol SMILES: CC1=CC(=CC(=C1Br)C)O
4-Hydroxy-3,5-dimethylbenzonitrile, 98%
CAS: 4198-90-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00221716 InChI Key: WFYGXOWFEIOHCZ-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-hydroxybenzonitrile,4-cyano-2,6-dimethylphenol,2,6-dimethyl-4-cyanophenol,4-hydroxy-3,5-dimethyl-benzonitrile,3,5-dimethyl-4-hydroxy benzonitrile,benzonitrile, 3,5-dimethyl-4-hydroxy,4-hydroxy-3,5-dimethylbenzenecarbonitrile,benzonitrile, 4-hydroxy-3,5-dimethyl,pubchem11065,acmc-209jmm PubChem CID: 20176 IUPAC Name: 4-hydroxy-3,5-dimethylbenzonitrile SMILES: CC1=CC(=CC(=C1O)C)C#N