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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.
Benzene and substituted derivatives (48)
Phenols (6)
Naphthalenes (4)
Fluorenes (2)

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1 – 15 of 54 results
1

2-Fluoro-4-methylaniline, 99%

CAS: 452-80-2 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00040975 InChI Key: ZQEXBVHABAJPHJ-UHFFFAOYSA-N Synonym: 2-fluoro-4-methyaniline,2-fluoro-p-toluidine,4-amino-3-fluorotoluene,p-toluidine, 2-fluoro,benzenamine, 2-fluoro-4-methyl,2-fluoro-4-methyl aniline,2-fluoro-4-methyl-aniline,2-fluoro-4-methyl-phenylamine,2-fluoro-4-methylphenylamine,benzenamine, 2-fluoro-4-methyl-9ci PubChem CID: 67984 IUPAC Name: 2-fluoro-4-methylaniline SMILES: CC1=CC=C(N)C(F)=C1

PubChem CID 67984
CAS 452-80-2
Molecular Weight (g/mol) 125.15
MDL Number MFCD00040975
SMILES CC1=CC=C(N)C(F)=C1
Synonym 2-fluoro-4-methyaniline,2-fluoro-p-toluidine,4-amino-3-fluorotoluene,p-toluidine, 2-fluoro,benzenamine, 2-fluoro-4-methyl,2-fluoro-4-methyl aniline,2-fluoro-4-methyl-aniline,2-fluoro-4-methyl-phenylamine,2-fluoro-4-methylphenylamine,benzenamine, 2-fluoro-4-methyl-9ci
IUPAC Name 2-fluoro-4-methylaniline
InChI Key ZQEXBVHABAJPHJ-UHFFFAOYSA-N
Molecular Formula C7H8FN
2

2,7-Dibromo-9,9-difluorofluorene 97.0+%, TCI America™
SDP

CAS: 1229603-71-7 Molecular Formula: C13H6Br2F2 Molecular Weight (g/mol): 359.996 MDL Number: MFCD28386928 InChI Key: ITRVPZLDBPKHTI-UHFFFAOYSA-N PubChem CID: 59611235 IUPAC Name: 2,7-dibromo-9,9-difluorofluorene SMILES: C1=CC2=C(C=C1Br)C(C3=C2C=CC(=C3)Br)(F)F

PubChem CID 59611235
CAS 1229603-71-7
Molecular Weight (g/mol) 359.996
MDL Number MFCD28386928
SMILES C1=CC2=C(C=C1Br)C(C3=C2C=CC(=C3)Br)(F)F
IUPAC Name 2,7-dibromo-9,9-difluorofluorene
InChI Key ITRVPZLDBPKHTI-UHFFFAOYSA-N
Molecular Formula C13H6Br2F2
3

4,4'-Dimethoxyoctafluorobiphenyl 98.0+%, TCI America™
SDP

CAS: 2200-71-7 Molecular Formula: C14H6F8O2 Molecular Weight (g/mol): 358.19 MDL Number: MFCD00039802 InChI Key: TVUPJKALGKCABC-UHFFFAOYSA-N PubChem CID: 262954 IUPAC Name: 2,2',3,3',5,5',6,6'-octafluoro-4,4'-dimethoxy-1,1'-biphenyl SMILES: COC1=C(F)C(F)=C(C(F)=C1F)C1=C(F)C(F)=C(OC)C(F)=C1F

PubChem CID 262954
CAS 2200-71-7
Molecular Weight (g/mol) 358.19
MDL Number MFCD00039802
SMILES COC1=C(F)C(F)=C(C(F)=C1F)C1=C(F)C(F)=C(OC)C(F)=C1F
IUPAC Name 2,2',3,3',5,5',6,6'-octafluoro-4,4'-dimethoxy-1,1'-biphenyl
InChI Key TVUPJKALGKCABC-UHFFFAOYSA-N
Molecular Formula C14H6F8O2
4

4-Amino-3-chlorobenzoic Acid 97.0+%, TCI America™
SDP

CAS: 2486-71-7 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00460423 InChI Key: YIYBPEDZAUFQLO-UHFFFAOYSA-N Synonym: 4-amino-3-chloro-benzoic acid,3-chloro-4-aminobenzoic acid,4-amino-3-chlorbenzoic acid,benzoic acid, 4-amino-3-chloro,4-amino-3-chlorobenzoicacid,4-amino-3-chloro-benzoicacid,4-amnio-3-chlorobenzioc acid,pubchem4652,acmc-209gf7,ksc494k4j PubChem CID: 17211 IUPAC Name: 4-amino-3-chlorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)Cl)N

PubChem CID 17211
CAS 2486-71-7
Molecular Weight (g/mol) 171.58
MDL Number MFCD00460423
SMILES C1=CC(=C(C=C1C(=O)O)Cl)N
Synonym 4-amino-3-chloro-benzoic acid,3-chloro-4-aminobenzoic acid,4-amino-3-chlorbenzoic acid,benzoic acid, 4-amino-3-chloro,4-amino-3-chlorobenzoicacid,4-amino-3-chloro-benzoicacid,4-amnio-3-chlorobenzioc acid,pubchem4652,acmc-209gf7,ksc494k4j
IUPAC Name 4-amino-3-chlorobenzoic acid
InChI Key YIYBPEDZAUFQLO-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
5

3,4-Dimethylbenzaldehyde 95.0+%, TCI America™
SDP

CAS: 5973-71-7 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00016612 InChI Key: POQJHLBMLVTHAU-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde PubChem CID: 22278 IUPAC Name: 3,4-dimethylbenzaldehyde SMILES: CC1=C(C=C(C=C1)C=O)C

PubChem CID 22278
CAS 5973-71-7
Molecular Weight (g/mol) 134.178
MDL Number MFCD00016612
SMILES CC1=C(C=C(C=C1)C=O)C
Synonym benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde
IUPAC Name 3,4-dimethylbenzaldehyde
InChI Key POQJHLBMLVTHAU-UHFFFAOYSA-N
Molecular Formula C9H10O
6

3-Fluorophenyl Isocyanate 97.0+%, TCI America™
SDP

CAS: 404-71-7 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.11 MDL Number: MFCD00002015 InChI Key: RIKWVZGZRYDACA-UHFFFAOYSA-N Synonym: 3-fluorophenyl isocyanate,m-fluorophenyl isocyanate,3-fluorophenylisocyanate,m-fluorophenylisocyanate,benzene, 1-fluoro-3-isocyanato,3-isocyanatofluorobenzene,isocyanic acid 3-fluorophenyl ester,3-fluorobenzenisocyanate,pubchem4995,acmc-1ajez PubChem CID: 123064 IUPAC Name: 1-fluoro-3-isocyanatobenzene SMILES: FC1=CC=CC(=C1)N=C=O

PubChem CID 123064
CAS 404-71-7
Molecular Weight (g/mol) 137.11
MDL Number MFCD00002015
SMILES FC1=CC=CC(=C1)N=C=O
Synonym 3-fluorophenyl isocyanate,m-fluorophenyl isocyanate,3-fluorophenylisocyanate,m-fluorophenylisocyanate,benzene, 1-fluoro-3-isocyanato,3-isocyanatofluorobenzene,isocyanic acid 3-fluorophenyl ester,3-fluorobenzenisocyanate,pubchem4995,acmc-1ajez
IUPAC Name 1-fluoro-3-isocyanatobenzene
InChI Key RIKWVZGZRYDACA-UHFFFAOYSA-N
Molecular Formula C7H4FNO
7

Pentafluorophenyldimethylchlorosilane 95.0+%, TCI America™
SDP

CAS: 20082-71-7 Molecular Formula: C8H6ClF5Si Molecular Weight (g/mol): 260.66 MDL Number: MFCD00000500 InChI Key: PQRFRTCWNCVQHI-UHFFFAOYSA-N Synonym: pentafluorophenyldimethylchlorosilane,flophemesyl chloride,chlorodimethylpentafluorophenylsilane,chlorodimethyl perfluorophenyl silane,silane, chlorodimethyl pentafluorophenyl,chlorodimethyl pentafluorophenyl silane,benzene, 1-chlorodimethylsilyl-2,3,4,5,6-pentafluoro,chlorodimethyl 2,3,4,5,6-pentafluorophenyl silane,chloro dimethyl pentafluorophenyl silane,dimethylpentafluorophenylchlorosilane PubChem CID: 88361 IUPAC Name: chlorodimethyl(2,3,4,5,6-pentafluorophenyl)silane SMILES: C[Si](C)(Cl)C1=C(F)C(F)=C(F)C(F)=C1F

PubChem CID 88361
CAS 20082-71-7
Molecular Weight (g/mol) 260.66
MDL Number MFCD00000500
SMILES C[Si](C)(Cl)C1=C(F)C(F)=C(F)C(F)=C1F
Synonym pentafluorophenyldimethylchlorosilane,flophemesyl chloride,chlorodimethylpentafluorophenylsilane,chlorodimethyl perfluorophenyl silane,silane, chlorodimethyl pentafluorophenyl,chlorodimethyl pentafluorophenyl silane,benzene, 1-chlorodimethylsilyl-2,3,4,5,6-pentafluoro,chlorodimethyl 2,3,4,5,6-pentafluorophenyl silane,chloro dimethyl pentafluorophenyl silane,dimethylpentafluorophenylchlorosilane
IUPAC Name chlorodimethyl(2,3,4,5,6-pentafluorophenyl)silane
InChI Key PQRFRTCWNCVQHI-UHFFFAOYSA-N
Molecular Formula C8H6ClF5Si
8

4-Amino-2,5-xylenol 97.0+%, TCI America™
SDP

CAS: 3096-71-7 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 InChI Key: JSWVCUXQICMATE-UHFFFAOYSA-N Synonym: 4-amino-2,5-xylenol,phenol, 4-amino-2,5-dimethyl,unii-rf4r93709t,2,5-dimethyl-4-aminophenol,4-amino-2,5-dimethyl-phenol,4-hydroxy-2,5-dimethylaniline,acmc-209hjo,2,5-dimethy-4-aminophenol,2,5-xylenol, 4-amino,ksc495q0r PubChem CID: 76544 IUPAC Name: 4-amino-2,5-dimethylphenol SMILES: CC1=CC(=C(C=C1O)C)N

PubChem CID 76544
CAS 3096-71-7
Molecular Weight (g/mol) 137.182
SMILES CC1=CC(=C(C=C1O)C)N
Synonym 4-amino-2,5-xylenol,phenol, 4-amino-2,5-dimethyl,unii-rf4r93709t,2,5-dimethyl-4-aminophenol,4-amino-2,5-dimethyl-phenol,4-hydroxy-2,5-dimethylaniline,acmc-209hjo,2,5-dimethy-4-aminophenol,2,5-xylenol, 4-amino,ksc495q0r
IUPAC Name 4-amino-2,5-dimethylphenol
InChI Key JSWVCUXQICMATE-UHFFFAOYSA-N
Molecular Formula C8H11NO
9

eMolecules​ 3,4,5-Trimethoxyphenol | 642-71-7 | MFCD00008389 | 25g

Combi-Blocks | 3,4,5-Trimethoxyphenol | 25g | 482933976 | QB-5483 | 95.000 | 642-71-7 | MFCD00008389 | 184.191 | C9H12O4

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10

Medchemexpress LLC Cdk9-in-7 | 2369981-71-3 | 98.1% | 547.71 | C29H37N7O2S | 5MG
SDP

CDK9-IN-7 is a selective, potent, orally active small-molecule inhibitor of CDK9/cyclin T for research use. It exhibits strong biochemical potency (IC50 = 11 nM), preferential selectivity versus other CDKs, and has demonstrated antitumor activity in preclinical non-small-cell lung cancer models by inducing apoptosis, causing G2 cell-cycle arrest, and reducing cancer stemness.

  • Selective CDK9/cyclin T inhibition with reduced activity against CDK4 and CDK6
  • Potent biochemical activity (IC50 = 11 nM) for target engagement studies
  • Demonstrated antitumor effects in NSCLC models, including apoptosis and G2 arrest
  • Suitable for in vitro and in vivo research, including oral administration studies
  • Available as powder and as a 10 mM solution in DMSO for screening
  • High purity (~98.1%) for reliable experimental results

ENCOMPASS_PREFERRED
11

Medchemexpress LLC CP-547632 hydrochloride | 252003-71-7 | MFCD20268381 | 99.9% | C20H25BrClF2N5O3S | 10MG
SDP

CP-547632 hydrochloride is the hydrochloride salt form of a potent, orally active ATP-competitive inhibitor of VEGFR-2 and FGF kinases, with reported IC50 values of 11 nM and 9 nM, respectively. It demonstrates selectivity versus EGFR and PDGFRβ and has shown antitumor efficacy in preclinical models.

  • ATP-competitive VEGFR-2 and FGF kinase inhibition.
  • Low-nanomolar potency (IC50s ≈11 nM and ≈9 nM).
  • Selective profile versus related tyrosine kinases.
  • Suitable for in vitro and in vivo preclinical studies.
  • High supplied purity (~99.9%).

ENCOMPASS_PREFERRED
12

eMolecules​ 3-Bromo-2-(trifluoromethyl)aniline | 244246-71-7 | MFCD13194482 | 1g

Ambeed | 3-Bromo-2-(trifluoromethyl)aniline | 1g | 600835594 | A259990 | | 244246-71-7 | MFCD13194482 | 240.023 | C7H5BrF3N

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13

Medchemexpress LLC Cdk9-in-7 | 2369981-71-3 | 98.1% | 547.71 g·mol⁻¹ | C29H37N7O2S | 10MG
SDP

CDK9-IN-7 is a selective, potent small-molecule inhibitor of cyclin-dependent kinase 9 (CDK9) intended for research use. It exhibits nanomolar potency (IC50 ≈ 11 nM) and has been reported to induce apoptosis and cell-cycle arrest in cancer cell models. Supplied as a powder, it is suitable for preclinical assays and mechanistic studies.

  • Selective CDK9 inhibition with reported IC50 ≈ 11 nM.
  • High purity approximately 98.1% suitable for research assays.
  • Molecular formula C29H37N7O2S and molecular weight 547.71 g·mol⁻¹.
  • Provided as a powder form, typically available in 10 mg quantity.
  • Recommended storage: powder -20°C (long term) or 4°C (short term).
  • Common applications include cell cycle, apoptosis, and transcriptional regulation studies.

ENCOMPASS_PREFERRED
14

eMolecules​ (3-AMINO-2-FLUOROPHENYL)BORONIC ACID | 1621605-71-7 | MFCD20726103 | 1g

AstaTech | (3-AMINO-2-FLUOROPHENYL)BORONIC ACID | 1g | 552879026 | D80569 | 95.000 | 1621605-71-7 | MFCD20726103 | 154.940 | C6H7BFNO2

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15

eMolecules​ N-{[4-(Trifluoromethyl)phenyl]carbamothioyl}benzamide | 117174-71-7 | MFCD00588815 | 5g

Apollo Scientific | N-{[4-(Trifluoromethyl)phenyl]carbamothioyl}benzamide | 5g | 562436154 | PC10453 | | 117174-71-7 | MFCD00588815 | 324.320 | C15H11F3N2OS

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ENCOMPASS_PREFERRED