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.

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6,631 – 6,645 of 78,441 results

6,631

(1,3-Dioxolan-2-yl)methyltriphenylphosphonium Bromide 97.0+%, TCI America™

CAS: 52509-14-5 Molecular Formula: C22H22BrO2P Molecular Weight (g/mol): 429.29 MDL Number: MFCD00011966 InChI Key: FRHRVQQUICVJDG-UHFFFAOYSA-M Synonym: 1,3-dioxolan-2-ylmethyl triphenylphosphonium bromide,1,3-dioxolan-2-yl methyl triphenylphosphonium bromide,1,3-dioxolan-2-ylmethyl triphenylphosphanium bromide,phosphonium, 1,3-dioxolan-2-ylmethyl triphenyl-, bromide,1,3-dioxolan-2-yl methyltriphenylphosphonium bromide,1,3-dioxolan-2-ylmethyl triphenyl phosphanium bromide,1,3-dioxolan-2-ylmethyl triphenyl phosphonium bromide,1,3-dioxolan-2-ylmethyl triphenylphosphine, bromide,acmc-209kzy PubChem CID: 2724194 IUPAC Name: [(1,3-dioxolan-2-yl)methyl]triphenylphosphanium bromide SMILES: [Br-].C(C1OCCO1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2724194
CAS	52509-14-5
Molecular Weight (g/mol)	429.29
MDL Number	MFCD00011966
SMILES	[Br-].C(C1OCCO1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	1,3-dioxolan-2-ylmethyl triphenylphosphonium bromide,1,3-dioxolan-2-yl methyl triphenylphosphonium bromide,1,3-dioxolan-2-ylmethyl triphenylphosphanium bromide,phosphonium, 1,3-dioxolan-2-ylmethyl triphenyl-, bromide,1,3-dioxolan-2-yl methyltriphenylphosphonium bromide,1,3-dioxolan-2-ylmethyl triphenyl phosphanium bromide,1,3-dioxolan-2-ylmethyl triphenyl phosphonium bromide,1,3-dioxolan-2-ylmethyl triphenylphosphine, bromide,acmc-209kzy
IUPAC Name	[(1,3-dioxolan-2-yl)methyl]triphenylphosphanium bromide
InChI Key	FRHRVQQUICVJDG-UHFFFAOYSA-M
Molecular Formula	C22H22BrO2P

6,632

4-Amino-2,3-xylenol 98.0+%, TCI America™

CAS: 3096-69-3 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00070554 InChI Key: UBKPLLYABUUFCE-UHFFFAOYSA-N Synonym: 4-Amino-2,3-dimethylphenol, 4-Hydroxy-2,3-dimethylaniline PubChem CID: 76542 IUPAC Name: 4-amino-2,3-dimethylphenol SMILES: CC1=C(C=CC(=C1C)O)N

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Specifications

PubChem CID	76542
CAS	3096-69-3
Molecular Weight (g/mol)	137.182
MDL Number	MFCD00070554
SMILES	CC1=C(C=CC(=C1C)O)N
Synonym	4-Amino-2,3-dimethylphenol, 4-Hydroxy-2,3-dimethylaniline
IUPAC Name	4-amino-2,3-dimethylphenol
InChI Key	UBKPLLYABUUFCE-UHFFFAOYSA-N
Molecular Formula	C8H11NO

6,633

(S)-Glycidyl 4-Nitrobenzenesulfonate 98.0+%, TCI America™

CAS: 118712-60-0 Molecular Formula: C9H9NO6S Molecular Weight (g/mol): 259.232 MDL Number: MFCD08460170 InChI Key: CXYDYDCHYJXOEY-QMMMGPOBSA-N Synonym: 4-Nitrobenzenesulfonic Acid (S)-Glycidyl Ester PubChem CID: 10868995 IUPAC Name: [(2S)-oxiran-2-yl]methyl 4-nitrobenzenesulfonate SMILES: C1C(O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

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Specifications

PubChem CID	10868995
CAS	118712-60-0
Molecular Weight (g/mol)	259.232
MDL Number	MFCD08460170
SMILES	C1C(O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Synonym	4-Nitrobenzenesulfonic Acid (S)-Glycidyl Ester
IUPAC Name	[(2S)-oxiran-2-yl]methyl 4-nitrobenzenesulfonate
InChI Key	CXYDYDCHYJXOEY-QMMMGPOBSA-N
Molecular Formula	C9H9NO6S

6,634

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

CAS: 17377-95-6 Molecular Formula: C14H15NO Molecular Weight (g/mol): 213.28 MDL Number: MFCD00059298 InChI Key: LIJJGMDKVVOEFT-UHFFFAOYSA-N Synonym: n-benzyl-p-anisidine,n-4-methoxyphenyl-n-benzylamine,4-methoxyphenyl benzylamine,n-benzyl-para-anisidine,acmc-1bvsm,n-benzyl-p-methoxyaniline,cambridge id 5107549,n-benzyl-4-methoxy-aniline,n-4-methoxyphenyl benzylamine,n-4-methoxyphenyl benzyl amine PubChem CID: 519413 IUPAC Name: N-benzyl-4-methoxyaniline SMILES: COC1=CC=C(NCC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	519413
CAS	17377-95-6
Molecular Weight (g/mol)	213.28
MDL Number	MFCD00059298
SMILES	COC1=CC=C(NCC2=CC=CC=C2)C=C1
Synonym	n-benzyl-p-anisidine,n-4-methoxyphenyl-n-benzylamine,4-methoxyphenyl benzylamine,n-benzyl-para-anisidine,acmc-1bvsm,n-benzyl-p-methoxyaniline,cambridge id 5107549,n-benzyl-4-methoxy-aniline,n-4-methoxyphenyl benzylamine,n-4-methoxyphenyl benzyl amine
IUPAC Name	N-benzyl-4-methoxyaniline
InChI Key	LIJJGMDKVVOEFT-UHFFFAOYSA-N
Molecular Formula	C14H15NO

6,635

2,4-Dibromophenol 98.0+%, TCI America™

CAS: 615-58-7 Molecular Formula: C6H4Br2O Molecular Weight (g/mol): 251.905 MDL Number: MFCD00002149 InChI Key: FAXWFCTVSHEODL-UHFFFAOYSA-N Synonym: phenol, 2,4-dibromo,2,4-dibromo-phenol,2,4-dibromphenol,unii-ia75t5c9tg,2,4-bis bromanyl phenol,ia75t5c9tg,phenol,4-dibromo,emery 9331,acmc-1bga9,2,4-dibromophenol PubChem CID: 12005 ChEBI: CHEBI:34238 IUPAC Name: 2,4-dibromophenol SMILES: C1=CC(=C(C=C1Br)Br)O

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Specifications

PubChem CID	12005
CAS	615-58-7
Molecular Weight (g/mol)	251.905
ChEBI	CHEBI:34238
MDL Number	MFCD00002149
SMILES	C1=CC(=C(C=C1Br)Br)O
Synonym	phenol, 2,4-dibromo,2,4-dibromo-phenol,2,4-dibromphenol,unii-ia75t5c9tg,2,4-bis bromanyl phenol,ia75t5c9tg,phenol,4-dibromo,emery 9331,acmc-1bga9,2,4-dibromophenol
IUPAC Name	2,4-dibromophenol
InChI Key	FAXWFCTVSHEODL-UHFFFAOYSA-N
Molecular Formula	C6H4Br2O

6,636

(S)-3-(Benzoylthio)-2-methylpropionic Acid 98.0+%, TCI America™

CAS: 72679-02-8 Molecular Formula: C11H12O3S Molecular Weight (g/mol): 224.274 MDL Number: MFCD00038376 InChI Key: BCAYPPFBOJCRPN-MRVPVSSYSA-N PubChem CID: 12763916 IUPAC Name: (2S)-3-benzoylsulfanyl-2-methylpropanoic acid SMILES: CC(CSC(=O)C1=CC=CC=C1)C(=O)O

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Specifications

PubChem CID	12763916
CAS	72679-02-8
Molecular Weight (g/mol)	224.274
MDL Number	MFCD00038376
SMILES	CC(CSC(=O)C1=CC=CC=C1)C(=O)O
IUPAC Name	(2S)-3-benzoylsulfanyl-2-methylpropanoic acid
InChI Key	BCAYPPFBOJCRPN-MRVPVSSYSA-N
Molecular Formula	C11H12O3S

6,637

2-Methyl-1-nitronaphthalene 98.0+%, TCI America™

CAS: 881-03-8 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.20 MDL Number: MFCD00003914 InChI Key: IZNWACYOILBFEG-UHFFFAOYSA-N Synonym: 1-nitro-2-methylnaphthalene,naphthalene, 2-methyl-1-nitro,2-methyl-1-nitrophthalene,unii-0ig2r1r9f7,2-methyl-1-nitro-naphthalene,ccris 4680,methylnitronaphthalene,pubchem11253,dsstox_cid_5761,acmc-209qr4 PubChem CID: 13432 IUPAC Name: 2-methyl-1-nitronaphthalene SMILES: CC1=CC=C2C=CC=CC2=C1[N+]([O-])=O

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Specifications

PubChem CID	13432
CAS	881-03-8
Molecular Weight (g/mol)	187.20
MDL Number	MFCD00003914
SMILES	CC1=CC=C2C=CC=CC2=C1[N+]([O-])=O
Synonym	1-nitro-2-methylnaphthalene,naphthalene, 2-methyl-1-nitro,2-methyl-1-nitrophthalene,unii-0ig2r1r9f7,2-methyl-1-nitro-naphthalene,ccris 4680,methylnitronaphthalene,pubchem11253,dsstox_cid_5761,acmc-209qr4
IUPAC Name	2-methyl-1-nitronaphthalene
InChI Key	IZNWACYOILBFEG-UHFFFAOYSA-N
Molecular Formula	C11H9NO2

6,638

Sodium 1-Naphthol-4-sulfonate 85.0+%, TCI America™

CAS: 6099-57-6 Molecular Formula: C10H7NaO4S Molecular Weight (g/mol): 246.212 MDL Number: MFCD00021518 InChI Key: IAAKNVCARVEIFS-UHFFFAOYSA-M Synonym: 1-naphthol-4-sulfonic acid sodium salt,sodium naphthol sulfonate,sodium 1-naphthol-4-sulfonate,sodium 4-hydroxynaphthalene-1-sulfonate,4-hydroxy-1-naphthalenesulfonic acid monosodium salt,sodium 4-hydroxy-1-naphthalenesulfonate,1-naphthalenesulfonic acid, 4-hydroxy-, monosodium salt,1-naphthalenesulfonic acid, 4-hydroxy-, sodium salt 1:1,4-hydroxy-1-naphthalenesulfonic acid sodium salt,84-87-7 parent PubChem CID: 4626046 IUPAC Name: sodium;4-hydroxynaphthalene-1-sulfonate SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O.[Na+]

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Specifications

PubChem CID	4626046
CAS	6099-57-6
Molecular Weight (g/mol)	246.212
MDL Number	MFCD00021518
SMILES	C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O.[Na+]
Synonym	1-naphthol-4-sulfonic acid sodium salt,sodium naphthol sulfonate,sodium 1-naphthol-4-sulfonate,sodium 4-hydroxynaphthalene-1-sulfonate,4-hydroxy-1-naphthalenesulfonic acid monosodium salt,sodium 4-hydroxy-1-naphthalenesulfonate,1-naphthalenesulfonic acid, 4-hydroxy-, monosodium salt,1-naphthalenesulfonic acid, 4-hydroxy-, sodium salt 1:1,4-hydroxy-1-naphthalenesulfonic acid sodium salt,84-87-7 parent
IUPAC Name	sodium;4-hydroxynaphthalene-1-sulfonate
InChI Key	IAAKNVCARVEIFS-UHFFFAOYSA-M
Molecular Formula	C10H7NaO4S

6,639

Phenetole 98.0+%, TCI America™

CAS: 103-73-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00009090 InChI Key: DLRJIFUOBPOJNS-UHFFFAOYSA-N Synonym: phenetole,benzene, ethoxy,ethyl phenyl ether,phenetol,phenyl ethyl ether,phenoxyethane,a phenoxyethane,ether, ethyl phenyl,unii-rb8lu2c57f PubChem CID: 7674 ChEBI: CHEBI:67129 IUPAC Name: ethoxybenzene SMILES: CCOC1=CC=CC=C1

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Specifications

PubChem CID	7674
CAS	103-73-1
Molecular Weight (g/mol)	122.167
ChEBI	CHEBI:67129
MDL Number	MFCD00009090
SMILES	CCOC1=CC=CC=C1
Synonym	phenetole,benzene, ethoxy,ethyl phenyl ether,phenetol,phenyl ethyl ether,phenoxyethane,a phenoxyethane,ether, ethyl phenyl,unii-rb8lu2c57f
IUPAC Name	ethoxybenzene
InChI Key	DLRJIFUOBPOJNS-UHFFFAOYSA-N
Molecular Formula	C8H10O

6,640

2-(4'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine 98.0+%, TCI America™

CAS: 1443049-85-1 Molecular Formula: C27H18ClN3 Molecular Weight (g/mol): 419.912 InChI Key: NOXDCUCUJFTIHW-UHFFFAOYSA-N PubChem CID: 90177143 IUPAC Name: 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

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Specifications

PubChem CID	90177143
CAS	1443049-85-1
Molecular Weight (g/mol)	419.912
SMILES	C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
IUPAC Name	2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
InChI Key	NOXDCUCUJFTIHW-UHFFFAOYSA-N
Molecular Formula	C27H18ClN3

6,641

3-(Trifluoromethyl)benzenesulfonamide 98.0+%, TCI America™

CAS: 672-58-2 Molecular Formula: C7H6F3NO2S Molecular Weight (g/mol): 225.185 MDL Number: MFCD00042421 InChI Key: ZUTVRDMZQSHCID-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzenesulfonamide,3-trifluoromethyl benzene-1-sulfonamide,3-trifluoromethyl benzenesulphonamide,m-trifluoromethylbenzenesulfonamide,benzenesulfonamide, 3-trifluoromethyl,pubchem11763,maybridge3_000947,3-sulphamoylbenzotrifluoride,ksc493o8t,3-trifluoromethyl-benzenesulfonamide PubChem CID: 244076 IUPAC Name: 3-(trifluoromethyl)benzenesulfonamide SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)C(F)(F)F

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Specifications

PubChem CID	244076
CAS	672-58-2
Molecular Weight (g/mol)	225.185
MDL Number	MFCD00042421
SMILES	C1=CC(=CC(=C1)S(=O)(=O)N)C(F)(F)F
Synonym	3-trifluoromethyl benzenesulfonamide,3-trifluoromethyl benzene-1-sulfonamide,3-trifluoromethyl benzenesulphonamide,m-trifluoromethylbenzenesulfonamide,benzenesulfonamide, 3-trifluoromethyl,pubchem11763,maybridge3_000947,3-sulphamoylbenzotrifluoride,ksc493o8t,3-trifluoromethyl-benzenesulfonamide
IUPAC Name	3-(trifluoromethyl)benzenesulfonamide
InChI Key	ZUTVRDMZQSHCID-UHFFFAOYSA-N
Molecular Formula	C7H6F3NO2S

6,642

5-Hydroxy-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 610-37-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017566 InChI Key: BUHKQTKKZAXSMH-UHFFFAOYSA-N PubChem CID: 11882 SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	11882
CAS	610-37-7
Molecular Weight (g/mol)	183.119
MDL Number	MFCD00017566
SMILES	C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
InChI Key	BUHKQTKKZAXSMH-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

6,643

Ethyl 2,4-Dihydroxy-6-methylbenzoate 98.0+%, TCI America™

CAS: 2524-37-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00010821 InChI Key: UQSRXQMIXSZGLA-UHFFFAOYSA-N Synonym: 2-Carbethoxy-3,5-dihydroxytoluene, 4-Carbethoxy-5-methylresorcinol, 2,4-Dihydroxy-6-methylbenzoic Acid Ethyl Ester, 2-Ethoxycarbonyl-3,5-dihydroxytoluene, 4-Ethoxycarbonyl-5-methylresorcinol PubChem CID: 75653 IUPAC Name: ethyl 2,4-dihydroxy-6-methylbenzoate SMILES: CCOC(=O)C1=C(C=C(C=C1C)O)O

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Specifications

PubChem CID	75653
CAS	2524-37-0
Molecular Weight (g/mol)	196.202
MDL Number	MFCD00010821
SMILES	CCOC(=O)C1=C(C=C(C=C1C)O)O
Synonym	2-Carbethoxy-3,5-dihydroxytoluene, 4-Carbethoxy-5-methylresorcinol, 2,4-Dihydroxy-6-methylbenzoic Acid Ethyl Ester, 2-Ethoxycarbonyl-3,5-dihydroxytoluene, 4-Ethoxycarbonyl-5-methylresorcinol
IUPAC Name	ethyl 2,4-dihydroxy-6-methylbenzoate
InChI Key	UQSRXQMIXSZGLA-UHFFFAOYSA-N
Molecular Formula	C10H12O4

6,644

Methyl 3,5-Di-tert-butylbenzoate 98.0+%, TCI America™

CAS: 64277-87-8 Molecular Formula: C16H24O2 Molecular Weight (g/mol): 248.37 MDL Number: MFCD03844786 InChI Key: ZEIOQJMJXFVPOG-UHFFFAOYSA-N Synonym: 3,5-Di-tert-butylbenzoic Acid Methyl Ester PubChem CID: 13267559 IUPAC Name: methyl 3,5-di-tert-butylbenzoate SMILES: COC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

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Specifications

PubChem CID	13267559
CAS	64277-87-8
Molecular Weight (g/mol)	248.37
MDL Number	MFCD03844786
SMILES	COC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
Synonym	3,5-Di-tert-butylbenzoic Acid Methyl Ester
IUPAC Name	methyl 3,5-di-tert-butylbenzoate
InChI Key	ZEIOQJMJXFVPOG-UHFFFAOYSA-N
Molecular Formula	C16H24O2

6,645

1-Chloro-2-methyl-2-phenylpropane 98.0+%, TCI America™

CAS: 515-40-2 Molecular Formula: C10H13Cl Molecular Weight (g/mol): 168.66 MDL Number: MFCD00000940 InChI Key: DNXXUUPUQXSUFH-UHFFFAOYSA-N Synonym: neophyl chloride,1-chloro-2-methyl-2-phenylpropane,1-chloro-2-methylpropan-2-yl benzene,benzene, 2-chloro-1,1-dimethylethyl,2-methyl-2-phenylpropyl chloride,neophylchloride,2-chloro-1,1-dimethylethyl benzene,unii-of6e0410nf,beta-chloro-tert-butylbenzene,2-chloromethyl-2-phenylpropane PubChem CID: 68191 IUPAC Name: (1-chloro-2-methylpropan-2-yl)benzene SMILES: CC(C)(CCl)C1=CC=CC=C1

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Specifications

PubChem CID	68191
CAS	515-40-2
Molecular Weight (g/mol)	168.66
MDL Number	MFCD00000940
SMILES	CC(C)(CCl)C1=CC=CC=C1
Synonym	neophyl chloride,1-chloro-2-methyl-2-phenylpropane,1-chloro-2-methylpropan-2-yl benzene,benzene, 2-chloro-1,1-dimethylethyl,2-methyl-2-phenylpropyl chloride,neophylchloride,2-chloro-1,1-dimethylethyl benzene,unii-of6e0410nf,beta-chloro-tert-butylbenzene,2-chloromethyl-2-phenylpropane
IUPAC Name	(1-chloro-2-methylpropan-2-yl)benzene
InChI Key	DNXXUUPUQXSUFH-UHFFFAOYSA-N
Molecular Formula	C10H13Cl

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