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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Anthracenes (1)
Naphthalenes (8)
Tetralins (5)
Thiophenols (3)
Triphenyl compounds (5)
Unsubstituted Phenols (2)
Benzene and substituted derivatives (132)
Phenols (19)

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Pararosaniline base

CAS: 467-62-9 Molecular Formula: C19H19N3O Molecular Weight (g/mol): 305.38 MDL Number: MFCD00036222 InChI Key: KRVRUAYUNOQMOV-UHFFFAOYSA-N Synonym: pararosaniline base,tris 4-aminophenyl methanol,tris p-aminophenyl methanol,benzenemethanol, 4-amino-.alpha.,.alpha.-bis 4-aminophenyl,tris 4-aminophenyl methan-1-ol,fuchsin dye base,parafuchsin carbinol,tris 4-aminophenyl carbinol,methanol, tris 4-aminophenyl,4,4',4-triaminotrityl alcohol PubChem CID: 10084 IUPAC Name: tris(4-aminophenyl)methanol SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C3=CC=C(C=C3)N)O)N

PubChem CID 10084
CAS 467-62-9
Molecular Weight (g/mol) 305.38
MDL Number MFCD00036222
SMILES C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C3=CC=C(C=C3)N)O)N
Synonym pararosaniline base,tris 4-aminophenyl methanol,tris p-aminophenyl methanol,benzenemethanol, 4-amino-.alpha.,.alpha.-bis 4-aminophenyl,tris 4-aminophenyl methan-1-ol,fuchsin dye base,parafuchsin carbinol,tris 4-aminophenyl carbinol,methanol, tris 4-aminophenyl,4,4',4-triaminotrityl alcohol
IUPAC Name tris(4-aminophenyl)methanol
InChI Key KRVRUAYUNOQMOV-UHFFFAOYSA-N
Molecular Formula C19H19N3O
2

Miconazole Free Base MP Biomedicals

CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N Synonym: miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm PubChem CID: 4189 ChEBI: CHEBI:82892 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1

PubChem CID 4189
CAS 22916-47-8
Molecular Weight (g/mol) 416.12
ChEBI CHEBI:82892
MDL Number MFCD00216019
SMILES ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
Synonym miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm
IUPAC Name 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole
InChI Key BYBLEWFAAKGYCD-UHFFFAOYNA-N
Molecular Formula C18H14Cl4N2O
4

o-Dianisidine, free base, 99.9%, MP Biomedicals™

CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

PubChem CID 8411
CAS 119-90-4
Molecular Weight (g/mol) 244.294
ChEBI CHEBI:82321
SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Synonym 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b
IUPAC Name 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
InChI Key JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula C14H16N2O2
6

Pararosaniline Base, TRC

CAS: 467-62-9 Molecular Formula: C19 H19 N3 O Molecular Weight (g/mol): 305.37 Synonym: Parafuchsin Carbinol,4-Amino-α,α-bis(4-aminophenyl)benzenemethanol,Tris(4-aminophenyl)methanol,Tris(p-aminophenyl)methanol IUPAC Name: tris(4-aminophenyl)methanol SMILES: Nc1ccc(cc1)C(O)(c2ccc(N)cc2)c3ccc(N)cc3

CAS 467-62-9
Molecular Weight (g/mol) 305.37
SMILES Nc1ccc(cc1)C(O)(c2ccc(N)cc2)c3ccc(N)cc3
Synonym Parafuchsin Carbinol,4-Amino-α,α-bis(4-aminophenyl)benzenemethanol,Tris(4-aminophenyl)methanol,Tris(p-aminophenyl)methanol
IUPAC Name tris(4-aminophenyl)methanol
Molecular Formula C19 H19 N3 O
7

Benzyl Alcohol, puriss., Honeywell
BIOPHARMA

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
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
8

Phenol, Honeywell Fluka™
BIOPHARMA

CAS: 108-95-2 Molecular Formula: C6H6O Molecular Weight (g/mol): 94.11 InChI Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N PubChem CID: 996 ChEBI: CHEBI:15882 IUPAC Name: phenol SMILES: OC1=CC=CC=C1

PubChem CID 996
CAS 108-95-2
Molecular Weight (g/mol) 94.11
ChEBI CHEBI:15882
SMILES OC1=CC=CC=C1
IUPAC Name phenol
InChI Key ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Molecular Formula C6H6O
10
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Anisole, ReagentPlus™, 99%, Honeywell™

CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00008354 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

PubChem CID 7519
CAS 100-66-3
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:16579
MDL Number MFCD00008354
SMILES COC1=CC=CC=C1
Synonym methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name anisole
InChI Key RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula C7H8O
11

Benzyl Alcohol, puriss., 99 to 100.5% (GC), Honeywell Riedel-de Haën™
BIOPHARMA

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
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
12

p-Cresol, Puriss p.a., ≥99.0% (GC),Honeywell™ Riedel-de-Haën™

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

PubChem CID 2879
CAS 106-44-5
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17847
MDL Number MFCD00002376
SMILES CC1=CC=C(C=C1)O
Synonym p-cresol,4-cresol,4-hydroxytoluene,p-methylphenol,phenol, 4-methyl,p-hydroxytoluene,p-tolyl alcohol,p-kresol,para-cresol,p-oxytoluene
IUPAC Name 4-methylphenol
InChI Key IWDCLRJOBJJRNH-UHFFFAOYSA-N
Molecular Formula C7H8O
13
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Benzyl alcohol, Puriss. p.a., ACS reagent, ≥99.0% (GC), Honeywell Riedel-de Haën™

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
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
14

AZD3839 free base, MedChemExpress

MedChemExpress AZD3839 free base is a potent and selective orally active, brain-permeable BACE1 inhibitor (Ki=26 nM).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 431.41
Color White
Physical Form Solid
Chemical Name or Material AZD3839 free base
Grade Research
SMILES FC1=C2C([C@](C3=CC=CC(C4=CN=CN=C4)=C3)(C5=CC(C(F)F)=NC=C5)N=C2N)=CC=C1
For Use With (Application) Cancer-programmed cell death
Percent Purity 99.89%
CAS 1227163-84-9
Solubility Information DMSO : 125 mg/mL (289.75 mM; Need ultrasonic)
Health Hazard 1 H302
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C24H16F3N5
Formula Weight 431.41
15

R406 free base, MedChemExpress

MedChemExpress R406 free base is an orally available and competitive Syk/FLT3 inhibitor for ATP binding with a Ki of 30 nM, potently inhibits Syk kinase activity in vitro with an IC50 of 41 nM, measured at an ATP concentration corresponding to its Km value. R406 free base reduces immune complex-mediated inflammation. R406 free base also inhibits Lyn (IC50=63 nM) and Lck (IC50=37 nM).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 470.45
Color Light Yellow
Physical Form Solid
Chemical Name or Material R406 free base
Grade Research
SMILES COC1=CC(NC2=NC(NC3=NC(N4)=C(C=C3)OC(C)(C)C4=O)=C(C=N2)F)=CC(OC)=C1OC
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.15%
CAS 841290-80-0
Solubility Information DMSO : ≥ 10 mg/mL (21.26 mM)
Health Hazard 1 H302∣H315∣H319∣H335
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C22H23FN6O5
Formula Weight 470.45