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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.
Phenylpropanes (14)
Aminobenzoic acids and derivatives (11)
Fluorobenzenes (11)
Phenylpropenes (10)
Hydroxybenzoic Acid Derivatives (8)
Benzyl Derivatives (8)
Methoxybenzenes (4)
Benzenesulfonamides (3)
Benzoic acid esters (2)
Methoxybenzoic acids and derivatives (2)
Phenoxy compounds (2)
Styrenes (2)
Aminotoluenes (1)
Diphenylmethanes (1)

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1 – 15 of 72 results
1

3-Bromoanisole 98.0+%, TCI America™

CAS: 2398-37-0 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000081 InChI Key: PLDWAJLZAAHOGG-UHFFFAOYSA-N Synonym: 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole PubChem CID: 16971 IUPAC Name: 1-bromo-3-methoxybenzene SMILES: COC1=CC=CC(Br)=C1

PubChem CID 16971
CAS 2398-37-0
Molecular Weight (g/mol) 187.04
MDL Number MFCD00000081
SMILES COC1=CC=CC(Br)=C1
Synonym 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole
IUPAC Name 1-bromo-3-methoxybenzene
InChI Key PLDWAJLZAAHOGG-UHFFFAOYSA-N
Molecular Formula C7H7BrO
2

2,4,6-Trifluorobenzonitrile 98.0+%, TCI America™

CAS: 96606-37-0 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.095 MDL Number: MFCD00042399 InChI Key: HTKFGTCCOJIUIK-UHFFFAOYSA-N Synonym: benzonitrile, 2,4,6-trifluoro,2,4,6-trifluorobenzenecarbonitrile,ncr bf df ff,pubchem1565,acmc-209s7e,ksc488g9f,2,4,6-trifluoro-benzonitrile,2,4,6-trifluorobenzonitrile,benzonitrile, 2,4,6-trifluoro-, radical ion 1-9ci PubChem CID: 737177 IUPAC Name: 2,4,6-trifluorobenzonitrile SMILES: C1=C(C=C(C(=C1F)C#N)F)F

PubChem CID 737177
CAS 96606-37-0
Molecular Weight (g/mol) 157.095
MDL Number MFCD00042399
SMILES C1=C(C=C(C(=C1F)C#N)F)F
Synonym benzonitrile, 2,4,6-trifluoro,2,4,6-trifluorobenzenecarbonitrile,ncr bf df ff,pubchem1565,acmc-209s7e,ksc488g9f,2,4,6-trifluoro-benzonitrile,2,4,6-trifluorobenzonitrile,benzonitrile, 2,4,6-trifluoro-, radical ion 1-9ci
IUPAC Name 2,4,6-trifluorobenzonitrile
InChI Key HTKFGTCCOJIUIK-UHFFFAOYSA-N
Molecular Formula C7H2F3N
3

N-Benzyl-p-toluenesulfonamide 98.0+%, TCI America™

CAS: 1576-37-0 Molecular Formula: C14H15NO2S Molecular Weight (g/mol): 261.339 MDL Number: MFCD00159328 InChI Key: WTHKAJZQYNKTCJ-UHFFFAOYSA-N Synonym: n-benzyl-p-toluenesulfonamide,n-tosylbenzylamine,p-toluenesulfonamide, n-benzyl,n-benzyl-p-toluenesulphonamide,n-benzyl-4-methyl-benzenesulfonamide,n-benzyl-4-methylbenzene-1-sulfonamide,n-benzyl-p-toluene sulphonamide,benzenesulfonamide, 4-methyl-n-phenylmethyl,4-methyl-n-phenylmethyl benzenesulfonamide,4-methyl-n-phenylmethyl-benzenesulfonamid PubChem CID: 95801 IUPAC Name: N-benzyl-4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2

PubChem CID 95801
CAS 1576-37-0
Molecular Weight (g/mol) 261.339
MDL Number MFCD00159328
SMILES CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2
Synonym n-benzyl-p-toluenesulfonamide,n-tosylbenzylamine,p-toluenesulfonamide, n-benzyl,n-benzyl-p-toluenesulphonamide,n-benzyl-4-methyl-benzenesulfonamide,n-benzyl-4-methylbenzene-1-sulfonamide,n-benzyl-p-toluene sulphonamide,benzenesulfonamide, 4-methyl-n-phenylmethyl,4-methyl-n-phenylmethyl benzenesulfonamide,4-methyl-n-phenylmethyl-benzenesulfonamid
IUPAC Name N-benzyl-4-methylbenzenesulfonamide
InChI Key WTHKAJZQYNKTCJ-UHFFFAOYSA-N
Molecular Formula C14H15NO2S
4

2-Fluoro-7,7,8,8-tetracyanoquinodimethane 98.0+%, TCI America™

CAS: 69857-37-0 Molecular Formula: C12H3FN4 Molecular Weight (g/mol): 222.18 MDL Number: MFCD08276377 InChI Key: BXPLEMMFZOKIHP-UHFFFAOYSA-N Synonym: FTCNQ PubChem CID: 19748576 IUPAC Name: 2-[4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile SMILES: FC1=CC(C=CC1=C(C#N)C#N)=C(C#N)C#N

PubChem CID 19748576
CAS 69857-37-0
Molecular Weight (g/mol) 222.18
MDL Number MFCD08276377
SMILES FC1=CC(C=CC1=C(C#N)C#N)=C(C#N)C#N
Synonym FTCNQ
IUPAC Name 2-[4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
InChI Key BXPLEMMFZOKIHP-UHFFFAOYSA-N
Molecular Formula C12H3FN4
5

Methyl 3,5-Dimethoxybenzoate 99.0+%, TCI America™

CAS: 2150-37-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008432 InChI Key: YXUIOVUOFQKWDM-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzoic acid methyl ester,benzoic acid, 3,5-dimethoxy-, methyl ester,3,5-dimethoxybenzoic acid methyl,methyl 3,5-bis methyloxy benzoate,acmc-1ccvs,rarechem al bf 0065,methyl 3,5-dimethoxybnezoate,ksc489q8p,ethyl 3,5-dimethoxybenzoate,methyl 3,5-dimethoxybenzoate PubChem CID: 75074 IUPAC Name: methyl 3,5-dimethoxybenzoate SMILES: COC(=O)C1=CC(OC)=CC(OC)=C1

PubChem CID 75074
CAS 2150-37-0
Molecular Weight (g/mol) 196.20
MDL Number MFCD00008432
SMILES COC(=O)C1=CC(OC)=CC(OC)=C1
Synonym 3,5-dimethoxybenzoic acid methyl ester,benzoic acid, 3,5-dimethoxy-, methyl ester,3,5-dimethoxybenzoic acid methyl,methyl 3,5-bis methyloxy benzoate,acmc-1ccvs,rarechem al bf 0065,methyl 3,5-dimethoxybnezoate,ksc489q8p,ethyl 3,5-dimethoxybenzoate,methyl 3,5-dimethoxybenzoate
IUPAC Name methyl 3,5-dimethoxybenzoate
InChI Key YXUIOVUOFQKWDM-UHFFFAOYSA-N
Molecular Formula C10H12O4
6

2,6-Di-tert-butyl-p-cresol 99.0+%, TCI America™

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
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
7

2,4,5-Trifluoro-1,3-phenylenediamine 98.0+%, TCI America™

CAS: 321182-37-0 Molecular Formula: C6H5F3N2 Molecular Weight (g/mol): 162.115 MDL Number: MFCD04114298 InChI Key: ONVSXVVJFJJZQX-UHFFFAOYSA-N Synonym: 1,3-Diamino-2,4,5-trifluorobenzene PubChem CID: 15531223 IUPAC Name: 2,4,5-trifluorobenzene-1,3-diamine SMILES: C1=C(C(=C(C(=C1F)F)N)F)N

PubChem CID 15531223
CAS 321182-37-0
Molecular Weight (g/mol) 162.115
MDL Number MFCD04114298
SMILES C1=C(C(=C(C(=C1F)F)N)F)N
Synonym 1,3-Diamino-2,4,5-trifluorobenzene
IUPAC Name 2,4,5-trifluorobenzene-1,3-diamine
InChI Key ONVSXVVJFJJZQX-UHFFFAOYSA-N
Molecular Formula C6H5F3N2
8

1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene 98.0+%, TCI America™

CAS: 117943-37-0 Molecular Formula: C23H34F2 Molecular Weight (g/mol): 348.52 MDL Number: MFCD12828126 InChI Key: HTAPXFSKUGZEEP-UHFFFAOYSA-N PubChem CID: 587775 IUPAC Name: 1,2-difluoro-4-{4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl}benzene SMILES: CCCC1CCC(CCC2CCC(CC2)C2=CC(F)=C(F)C=C2)CC1

PubChem CID 587775
CAS 117943-37-0
Molecular Weight (g/mol) 348.52
MDL Number MFCD12828126
SMILES CCCC1CCC(CCC2CCC(CC2)C2=CC(F)=C(F)C=C2)CC1
IUPAC Name 1,2-difluoro-4-{4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl}benzene
InChI Key HTAPXFSKUGZEEP-UHFFFAOYSA-N
Molecular Formula C23H34F2
9

Sigma Aldrich Fine Chemicals Biosciences Butylated hydroxytoluene, 128-37-0, MFCD00011644, 1 KG

Linear Formula: ((CH3)3C)2C6H2(CH3)OH, Molecular Weight: 220.35, ≥99%, FCC, FG, Synonym: 2,6-Di-tert-butyl-4-methylphenol, 2,6-Di-tert-butyl-p-cresol, BHT, Butylated hydroxytoluene, Butylhydroxytoluene, DBPC. Butylated hydroxytoluene is a synthetic phenolic compound mainly used as an antioxidant and preservative in the food industry. It is used to prevent the lipid oxidation in oils and fat-containing foods.

ENCOMPASS
10

U.S. Pharmacopeia Butylated hydroxytoluene, 128-37-0, MFCD00011644, 500 mg

Linear Formula: [(CH3)3C]2C6H2(CH3)OH, Molecular Weight: 220.35, BP: 265 °C, MP: 69-73 °C, Synonym: 2,6-Di-tert-butyl-4-methylphenol, 2,6-Di-tert-butyl-p-cresol, BHT, Butylated hydroxytoluene, Butylhydroxytoluene, DBPC.

ENCOMPASS
11

eMolecules​ Stigmasta-3,5-diene | 4970-37-0 | MFCD29036809 | 50mg

Toronto Research Chemicals | Stigmasta-3,5-diene | 50mg | 601600581 | S686745 | | 4970-37-0 | MFCD29036809 | 396.703 | C29H48

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ENCOMPASS_PREFERRED
12

Sigma Aldrich Fine Chemicals Biosciences 3-Bromoanisole >=98% | 2398-37-0 | MFCD00000081 | 100G

3-Bromoanisole >=98% | Purity: >=98% | Mol Wt: 187.03 | 2398-37-0 | MFCD00000081 | 100G

ENCOMPASS
13

Sigma Aldrich Fine Chemicals Biosciences Butylated hydroxytoluene >=99%, FCC, FG | 128-37-0 | MFCD00011644 |

Butylated hydroxytoluene >=99%, FCC, FG | Purity: >=99% | Mol Wt: 220.35 | 128-37-0 | MFCD00011644 |

ENCOMPASS
14

eMolecules​ 2,4-Dihydroxy-5-methylbenzaldehyde | 39828-37-0 | MFCD24673936 | 1g

Ambeed | 2,4-Dihydroxy-5-methylbenzaldehyde | 1g | 600847884 | A790984 | | 39828-37-0 | MFCD24673936 | 152.149 | C8H8O3

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ENCOMPASS_PREFERRED
15

Sigma Aldrich Fine Chemicals Biosciences Butylated hydroxytoluene >=99%, FCC, FG | 128-37-0 | MFCD00011644 | 10KG

Butylated hydroxytoluene >=99%, FCC, FG | Purity: >=99% | Mol Wt: 220.35 | 128-37-0 | MFCD00011644 | 10KG

ENCOMPASS