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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Aminobenzoic acids and derivatives (10)
Hydroxybenzoic Acid Derivatives (8)
Benzoyl derivatives (6)
Fluorobenzenes (4)
Benzoic acid esters (3)
Bromobenzenes (2)
Nitrotoluenes (2)
Phenoxides (2)
Benzenesulfonamides (1)
Diphenylmethanes (1)
Methoxybenzenes (1)
Phenoxy compounds (1)
Trifluoromethylbenzenes (1)

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1

4-Fluorophenyl isocyanate, 98+%

CAS: 1195-45-5 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.113 MDL Number: MFCD00002023 InChI Key: DSVGFKBFFICWLZ-UHFFFAOYSA-N PubChem CID: 70955 IUPAC Name: 1-fluoro-4-isocyanatobenzene SMILES: C1=CC(=CC=C1N=C=O)F

PubChem CID 70955
CAS 1195-45-5
Molecular Weight (g/mol) 137.113
MDL Number MFCD00002023
SMILES C1=CC(=CC=C1N=C=O)F
IUPAC Name 1-fluoro-4-isocyanatobenzene
InChI Key DSVGFKBFFICWLZ-UHFFFAOYSA-N
Molecular Formula C7H4FNO
2

Benzoyl Isothiocyanate 97.0+%, TCI America™

CAS: 532-55-8 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00004815 InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonym: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone PubChem CID: 68284 IUPAC Name: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S

PubChem CID 68284
CAS 532-55-8
Molecular Weight (g/mol) 163.194
MDL Number MFCD00004815
SMILES C1=CC=C(C=C1)C(=O)N=C=S
Synonym benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone
IUPAC Name benzoyl isothiocyanate
InChI Key CPEKAXYCDKETEN-UHFFFAOYSA-N
Molecular Formula C8H5NOS
3

3-Bromophenyl Isocyanate 98.0+%, TCI America™

CAS: 23138-55-8 Molecular Formula: C7H4BrNO Molecular Weight (g/mol): 198.02 MDL Number: MFCD00002014 InChI Key: VQVBCZQTXSHJGF-UHFFFAOYSA-N Synonym: 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f PubChem CID: 141001 IUPAC Name: 1-bromo-3-isocyanatobenzene SMILES: BrC1=CC=CC(=C1)N=C=O

PubChem CID 141001
CAS 23138-55-8
Molecular Weight (g/mol) 198.02
MDL Number MFCD00002014
SMILES BrC1=CC=CC(=C1)N=C=O
Synonym 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f
IUPAC Name 1-bromo-3-isocyanatobenzene
InChI Key VQVBCZQTXSHJGF-UHFFFAOYSA-N
Molecular Formula C7H4BrNO
4

5-Ethynyl-1,2,3-trifluorobenzene 98.0+%, TCI America™

CAS: 158816-55-8 Molecular Formula: C8H3F3 Molecular Weight (g/mol): 156.11 MDL Number: MFCD08458177 InChI Key: BZXWRVPVZZZAKB-UHFFFAOYSA-N Synonym: 3,4,5-Trifluorophenylacetylene PubChem CID: 22709071 IUPAC Name: 5-ethynyl-1,2,3-trifluorobenzene SMILES: FC1=CC(=CC(F)=C1F)C#C

PubChem CID 22709071
CAS 158816-55-8
Molecular Weight (g/mol) 156.11
MDL Number MFCD08458177
SMILES FC1=CC(=CC(F)=C1F)C#C
Synonym 3,4,5-Trifluorophenylacetylene
IUPAC Name 5-ethynyl-1,2,3-trifluorobenzene
InChI Key BZXWRVPVZZZAKB-UHFFFAOYSA-N
Molecular Formula C8H3F3
5

Ethyl 2,4,6-Trimethylbenzoate 95.0+%, TCI America™

CAS: 1754-55-8 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00015439 InChI Key: ZXTXIZPSMQCYBN-UHFFFAOYSA-N Synonym: 2,4,6-Trimethylbenzoic Acid Ethyl Ester, Ethyl Mesitylenecarboxylate, Mesitylenecarboxylic Acid Ethyl Ester PubChem CID: 74465 IUPAC Name: ethyl 2,4,6-trimethylbenzoate SMILES: CCOC(=O)C1=C(C=C(C=C1C)C)C

PubChem CID 74465
CAS 1754-55-8
Molecular Weight (g/mol) 192.258
MDL Number MFCD00015439
SMILES CCOC(=O)C1=C(C=C(C=C1C)C)C
Synonym 2,4,6-Trimethylbenzoic Acid Ethyl Ester, Ethyl Mesitylenecarboxylate, Mesitylenecarboxylic Acid Ethyl Ester
IUPAC Name ethyl 2,4,6-trimethylbenzoate
InChI Key ZXTXIZPSMQCYBN-UHFFFAOYSA-N
Molecular Formula C12H16O2
6

2-Methyl-5-nitroaniline 98.0+%, TCI America™

CAS: 99-55-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007741 InChI Key: DSBIJCMXAIKKKI-UHFFFAOYSA-N Synonym: 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp PubChem CID: 7444 ChEBI: CHEBI:66891 IUPAC Name: 2-methyl-5-nitroaniline SMILES: CC1=CC=C(C=C1N)[N+]([O-])=O

PubChem CID 7444
CAS 99-55-8
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:66891
MDL Number MFCD00007741
SMILES CC1=CC=C(C=C1N)[N+]([O-])=O
Synonym 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp
IUPAC Name 2-methyl-5-nitroaniline
InChI Key DSBIJCMXAIKKKI-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
7

2,4-Bis[8-hydroxy-1,1,7,7-tetramethyljulolidin-9-yl]squaraine 98.0+%, TCI America™

CAS: 358727-55-6 Molecular Formula: C36H44N2O4-2 Molecular Weight (g/mol): 568.758 InChI Key: ZVJJZBXHRPLGNI-UHFFFAOYSA-L Synonym: 2,4-Bis[8-hydroxy-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-yl]squaraine PubChem CID: 91972175 SMILES: CC1(CCN2CCC(C3=C(C(=CC1=C32)C4=C(C(=C4O)C5=CC6=C7C(=C5[O-])C(CCN7CCC6(C)C)(C)C)O)[O-])(C)C)C

PubChem CID 91972175
CAS 358727-55-6
Molecular Weight (g/mol) 568.758
SMILES CC1(CCN2CCC(C3=C(C(=CC1=C32)C4=C(C(=C4O)C5=CC6=C7C(=C5[O-])C(CCN7CCC6(C)C)(C)C)O)[O-])(C)C)C
Synonym 2,4-Bis[8-hydroxy-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-yl]squaraine
InChI Key ZVJJZBXHRPLGNI-UHFFFAOYSA-L
Molecular Formula C36H44N2O4-2
8

eMolecules​ Hydroquinidine | 1435-55-8 | MFCD00135599 | 25g

Combi-Blocks, Inc. | Hydroquinidine | 25g | 603131397 | QC-4024 | 95.000 | 1435-55-8 | MFCD00135599 | 326.440 | C20H26N2O2

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ENCOMPASS_PREFERRED
9

Medchemexpress LLC Ibotenic acid | 2552-55-8 | 50 MG
SDP

Ibotenic acid, also known as (RS)-Ibotenic acid or DL-Ibotenic acid, is an iGluR Agonist. It displays agonist activity at both the N-methyl-D-aspartate (NMDA) and trans-ACPD or metabolotropic quisqualate (Qm) receptor sites. Its agonist activity at NMDA receptors, which is linked to its neurotoxicity, makes it valuable for neurobiological research, particularly in studies concerning neurological conditions. This product is intended for research purposes only and is not for sale to patients.

  • Agonist activity at NMDA and trans-ACPD/metabotropic quisqualate (Qm) receptor sites
  • Purity: 99.34%
  • Molecular weight: 158.11
  • Formula: C₅H₆N₂O₄
  • Appearance: Solid, light yellow to yellow color
  • Source: Microorganisms, Amanita mushrooms
  • Toxic to cortical neurons with an EC50 = 77.3 ± 8 μM

ENCOMPASS_PREFERRED
10

Medchemexpress LLC N6-benzoyladenosine | 4546-55-8 | 371.35 | 50 G
SDP

N6-Benzoyladenosine (Bz-rA) is a nucleoside derivative featuring an N6 protecting group. It primarily serves as a synthetic intermediate in photocatalytic oxidative cyclization reactions and in the synthesis of oligoribonucleotides. It is also utilized for efficient construction of heterocyclic skeletons in photochemical conversions and for protecting the ribose moiety to control the cyclization pathway.

  • Features N6 protecting group
  • Functions as a synthetic intermediate in photocatalytic oxidative cyclization reactions
  • Used for synthesizing oligoribonucleotides
  • Enables efficient construction of heterocyclic skeletons in photochemical conversions
  • Protects the ribose moiety to control the cyclization pathway

ENCOMPASS_PREFERRED
11

Medchemexpress LLC Ibotenic acid | 2552-55-8 | MFCD00069294 | 25 MG
SDP

Ibotenic acid is an iGluR Agonist that exhibits activity at both N-methyl-D-aspartate (NMDA) and trans-ACPD or metabolotropic quisqualate (Qm) receptor sites. It is toxic to cortical neurons, with an EC50 of 77.3±8 μM as measured by the release of lactate dehydrogenase to the culture media after 5 minutes of exposure. This compound is suitable for research use.

  • Functions as an iGluR agonist
  • Activates N-methyl-D-aspartate (NMDA) and trans-ACPD/Qm receptor sites
  • Molecular weight: 158.11
  • Chemical formula: C5H6N2O4
  • Appears as a solid, light yellow to yellow in color
  • Sourced from Amanita mushrooms
  • Purity of 99.34%

ENCOMPASS_PREFERRED
12

Sigma Aldrich Fine Chemicals Biosciences Phenyl salicylate >=99%, FG | 118-55-8 | MFCD00002213 |

Phenyl salicylate >=99%, FG | Purity: >=99% | Mol Wt: 214.22 | 118-55-8 | MFCD00002213 |

ENCOMPASS
13

Sigma Aldrich Fine Chemicals Biosciences Phenyl salicylate >=99%, FG | 118-55-8 | MFCD00002213 | 5KG

Phenyl salicylate >=99%, FG | Purity: >=99% | Mol Wt: 214.22 | 118-55-8 | MFCD00002213 | 5KG

ENCOMPASS
14

Sigma Aldrich Fine Chemicals Biosciences Phenyl salicylate >=99%, FG | 118-55-8 | MFCD00002213 | 1KG

Phenyl salicylate >=99%, FG | Purity: >=99% | Mol Wt: 214.22 | 118-55-8 | MFCD00002213 | 1KG

ENCOMPASS
15

Medchemexpress LLC 2,3-DCPE hydrochloride | 1009555-55-8 | 98.02% | 300.61 | 10 MG
SDP

2,3-DCPE hydrochloride induces apoptosis and downregulates Bcl-XL expression. It has anti-tumor activity and can be used in cancer research.

  • Induces apoptosis
  • Downregulates Bcl-XL expression
  • Exhibits anti-tumor activity
  • Suitable for cancer research

ENCOMPASS_PREFERRED