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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 (103)
Naphthalenes (17)
Phenols (5)
Indanes (3)
Anthracenes (1)
Fluorenes (1)
Triphenyl compounds (1)

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1 – 15 of 116 results
1

4-Chloro-2-(trifluoromethyl)aniline, 97%

CAS: 445-03-4 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.57 MDL Number: MFCD00007841 InChI Key: CVINWVPRKDIGLL-UHFFFAOYSA-N Synonym: 2-amino-5-chlorobenzotrifluoride,4-chloro-2-trifluoromethyl aniline,benzenamine, 4-chloro-2-trifluoromethyl,2-amino-5-chlorobenzo trifluoride,5-chloro-2-aminobenzotrifluoride,2-amino-5-chloro-trifluorotoluene,2-trifluoromethyl-4-chloro-aniline,2-trifluoromethyl-4-chloroaniline,4-chloro-alpha,alpha,alpha-trifluoro-o-toluidine,4-chloro-2-trifluoromethyl-phenylamine PubChem CID: 67961 IUPAC Name: 4-chloro-2-(trifluoromethyl)aniline SMILES: NC1=CC=C(Cl)C=C1C(F)(F)F

PubChem CID 67961
CAS 445-03-4
Molecular Weight (g/mol) 195.57
MDL Number MFCD00007841
SMILES NC1=CC=C(Cl)C=C1C(F)(F)F
Synonym 2-amino-5-chlorobenzotrifluoride,4-chloro-2-trifluoromethyl aniline,benzenamine, 4-chloro-2-trifluoromethyl,2-amino-5-chlorobenzo trifluoride,5-chloro-2-aminobenzotrifluoride,2-amino-5-chloro-trifluorotoluene,2-trifluoromethyl-4-chloro-aniline,2-trifluoromethyl-4-chloroaniline,4-chloro-alpha,alpha,alpha-trifluoro-o-toluidine,4-chloro-2-trifluoromethyl-phenylamine
IUPAC Name 4-chloro-2-(trifluoromethyl)aniline
InChI Key CVINWVPRKDIGLL-UHFFFAOYSA-N
Molecular Formula C7H5ClF3N
2

Anisole 99.0+%, TCI America™

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
3

2,3,4-Trihydroxydiphenylmethane 98.0+%, TCI America™

CAS: 17345-66-3 Molecular Formula: C13H12O3 Molecular Weight (g/mol): 216.24 MDL Number: MFCD08276435 InChI Key: UJWRVYWLRMVCIR-UHFFFAOYSA-N Synonym: 4-Benzylpyrogallol PubChem CID: 14121594 IUPAC Name: 4-benzylbenzene-1,2,3-triol SMILES: OC1=C(O)C(O)=C(CC2=CC=CC=C2)C=C1

PubChem CID 14121594
CAS 17345-66-3
Molecular Weight (g/mol) 216.24
MDL Number MFCD08276435
SMILES OC1=C(O)C(O)=C(CC2=CC=CC=C2)C=C1
Synonym 4-Benzylpyrogallol
IUPAC Name 4-benzylbenzene-1,2,3-triol
InChI Key UJWRVYWLRMVCIR-UHFFFAOYSA-N
Molecular Formula C13H12O3
4

1-Butoxy-2,3-difluorobenzene 98.0+%, TCI America™

CAS: 136239-66-2 Molecular Formula: C10H12F2O Molecular Weight (g/mol): 186.202 MDL Number: MFCD07368738 InChI Key: HYDIPEHDSUNHPA-UHFFFAOYSA-N Synonym: 3-butoxy-1,2-difluorobenzene,2,3-difluorobutoxybenzene,benzene, 1-butoxy-2,3-difluoro,1-butoxy-2,3-difluoro-benzene,pubchem15526,acmc-209c5k,ksc493i5l,2,3-difluoro-1-butoxybenzene,4-butoxy-2,3-difluorobenzene PubChem CID: 2782939 IUPAC Name: 1-butoxy-2,3-difluorobenzene SMILES: CCCCOC1=C(C(=CC=C1)F)F

PubChem CID 2782939
CAS 136239-66-2
Molecular Weight (g/mol) 186.202
MDL Number MFCD07368738
SMILES CCCCOC1=C(C(=CC=C1)F)F
Synonym 3-butoxy-1,2-difluorobenzene,2,3-difluorobutoxybenzene,benzene, 1-butoxy-2,3-difluoro,1-butoxy-2,3-difluoro-benzene,pubchem15526,acmc-209c5k,ksc493i5l,2,3-difluoro-1-butoxybenzene,4-butoxy-2,3-difluorobenzene
IUPAC Name 1-butoxy-2,3-difluorobenzene
InChI Key HYDIPEHDSUNHPA-UHFFFAOYSA-N
Molecular Formula C10H12F2O
5

4-Fluoro-N-methylbenzylamine 97.0+%, TCI America™

CAS: 405-66-3 Molecular Formula: C8H10FN Molecular Weight (g/mol): 139.173 MDL Number: MFCD03839848 InChI Key: SZJIQLSCDIEJFC-UHFFFAOYSA-N Synonym: n-methyl-4-fluorobenzylamine,4-fluoro-n-methylbenzylamine,4-fluoro-benzyl-methyl-amine,1-4-fluorophenyl-n-methylmethanamine,n-4-fluorobenzyl-n-methylamine,4-fluoro-n-methyl benzylamine,4-fluorophenyl methyl methyl amine,benzenemethanamine, 4-fluoro-n-methyl,1-4-fluorophenyl-n-methyl-methanamine,acmc-1aek3 PubChem CID: 736860 IUPAC Name: 1-(4-fluorophenyl)-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)F

PubChem CID 736860
CAS 405-66-3
Molecular Weight (g/mol) 139.173
MDL Number MFCD03839848
SMILES CNCC1=CC=C(C=C1)F
Synonym n-methyl-4-fluorobenzylamine,4-fluoro-n-methylbenzylamine,4-fluoro-benzyl-methyl-amine,1-4-fluorophenyl-n-methylmethanamine,n-4-fluorobenzyl-n-methylamine,4-fluoro-n-methyl benzylamine,4-fluorophenyl methyl methyl amine,benzenemethanamine, 4-fluoro-n-methyl,1-4-fluorophenyl-n-methyl-methanamine,acmc-1aek3
IUPAC Name 1-(4-fluorophenyl)-N-methylmethanamine
InChI Key SZJIQLSCDIEJFC-UHFFFAOYSA-N
Molecular Formula C8H10FN
6

4-(1,1,3,3-Tetramethylbutyl)phenol 95.0+%, TCI America™

CAS: 140-66-9 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.329 MDL Number: MFCD00002368 InChI Key: ISAVYTVYFVQUDY-UHFFFAOYSA-N Synonym: 4-tert-octylphenol,p-tert-octylphenol,4-t-octylphenol,4-1,1,3,3-tetramethylbutyl phenol,4-2,4,4-trimethylpentan-2-yl phenol,p-terc.oktylfenol,para-tert-octylphenol,p-1,1,3,3-tetramethylbutyl phenol,phenol, 4-1,1,3,3-tetramethylbutyl,phenol, p-tert-octyl PubChem CID: 8814 ChEBI: CHEBI:34445 IUPAC Name: 4-(2,4,4-trimethylpentan-2-yl)phenol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O

PubChem CID 8814
CAS 140-66-9
Molecular Weight (g/mol) 206.329
ChEBI CHEBI:34445
MDL Number MFCD00002368
SMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
Synonym 4-tert-octylphenol,p-tert-octylphenol,4-t-octylphenol,4-1,1,3,3-tetramethylbutyl phenol,4-2,4,4-trimethylpentan-2-yl phenol,p-terc.oktylfenol,para-tert-octylphenol,p-1,1,3,3-tetramethylbutyl phenol,phenol, 4-1,1,3,3-tetramethylbutyl,phenol, p-tert-octyl
IUPAC Name 4-(2,4,4-trimethylpentan-2-yl)phenol
InChI Key ISAVYTVYFVQUDY-UHFFFAOYSA-N
Molecular Formula C14H22O
7

3,4,4'-Triaminodiphenyl Ether 98.0+%, TCI America™

CAS: 6264-66-0 Molecular Formula: C12H13N3O Molecular Weight (g/mol): 215.256 MDL Number: MFCD00191504 InChI Key: MPKIJEUTPZPJFP-UHFFFAOYSA-N PubChem CID: 80434 IUPAC Name: 4-(4-aminophenoxy)benzene-1,2-diamine SMILES: C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)N

PubChem CID 80434
CAS 6264-66-0
Molecular Weight (g/mol) 215.256
MDL Number MFCD00191504
SMILES C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)N
IUPAC Name 4-(4-aminophenoxy)benzene-1,2-diamine
InChI Key MPKIJEUTPZPJFP-UHFFFAOYSA-N
Molecular Formula C12H13N3O
8

N-[3-[3-(Dimethylamino)acryloyl]phenyl]-N-ethylacetamide 98.0+%, TCI America™

CAS: 96605-66-2 Molecular Formula: C15H20N2O2 Molecular Weight (g/mol): 260.337 MDL Number: MFCD04117958 InChI Key: UXWJJVRASIHSQS-MDZDMXLPSA-N PubChem CID: 11149633 IUPAC Name: N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylacetamide SMILES: CCN(C1=CC=CC(=C1)C(=O)C=CN(C)C)C(=O)C

PubChem CID 11149633
CAS 96605-66-2
Molecular Weight (g/mol) 260.337
MDL Number MFCD04117958
SMILES CCN(C1=CC=CC(=C1)C(=O)C=CN(C)C)C(=O)C
IUPAC Name N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylacetamide
InChI Key UXWJJVRASIHSQS-MDZDMXLPSA-N
Molecular Formula C15H20N2O2
9

5,5',6,6'-Tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobisindane, 97%

CAS: 77-08-7 Molecular Formula: C21H24O4 Molecular Weight (g/mol): 340.419 MDL Number: MFCD00021235 InChI Key: POFMQEVZKZVAPQ-UHFFFAOYSA-N Synonym: 5,5',6,6'-tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobisindane,tts 5,5,5',6,6'-tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobiindan,1,1'-spirobi 1h-indene-5,5',6,6'-tetrol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl,1,1'-spirobi indane-5,6-diol , 3,3,3',3'-tetramethyl,1,1,1',1'-tetramethyl-3,3'-spirobi 2h-indene-5,5',6,6'-tetrol,3,3,3',3'-tetramethyl-2h,2'h-1,1'-spirobi indene-5,5',6,6'-tetrol,3,3,3',3'-tetramethyl-2,2',3,3'-tetrahydro-1,1'-spirobi indene-5,5',6,6'-tetrol,1,6-diol , 3,3,3',3'-tetramethyl PubChem CID: 66162 IUPAC Name: 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5',6,6'-tetrol SMILES: CC1(CC2(CC(C3=CC(=C(C=C32)O)O)(C)C)C4=CC(=C(C=C41)O)O)C

PubChem CID 66162
CAS 77-08-7
Molecular Weight (g/mol) 340.419
MDL Number MFCD00021235
SMILES CC1(CC2(CC(C3=CC(=C(C=C32)O)O)(C)C)C4=CC(=C(C=C41)O)O)C
Synonym 5,5',6,6'-tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobisindane,tts 5,5,5',6,6'-tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobiindan,1,1'-spirobi 1h-indene-5,5',6,6'-tetrol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl,1,1'-spirobi indane-5,6-diol , 3,3,3',3'-tetramethyl,1,1,1',1'-tetramethyl-3,3'-spirobi 2h-indene-5,5',6,6'-tetrol,3,3,3',3'-tetramethyl-2h,2'h-1,1'-spirobi indene-5,5',6,6'-tetrol,3,3,3',3'-tetramethyl-2,2',3,3'-tetrahydro-1,1'-spirobi indene-5,5',6,6'-tetrol,1,6-diol , 3,3,3',3'-tetramethyl
IUPAC Name 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5',6,6'-tetrol
InChI Key POFMQEVZKZVAPQ-UHFFFAOYSA-N
Molecular Formula C21H24O4
10

Isorhapontigenin 96.0+%, TCI America™

CAS: 32507-66-7 Molecular Formula: C15H14O4 Molecular Weight (g/mol): 258.273 MDL Number: MFCD12407151 InChI Key: ANNNBEZJTNCXHY-NSCUHMNNSA-N Synonym: 3,4′C,5-Trihydroxy-3′C-methoxy-trans-stilbene PubChem CID: 5318650 IUPAC Name: 5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol SMILES: COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O

PubChem CID 5318650
CAS 32507-66-7
Molecular Weight (g/mol) 258.273
MDL Number MFCD12407151
SMILES COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O
Synonym 3,4′C,5-Trihydroxy-3′C-methoxy-trans-stilbene
IUPAC Name 5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol
InChI Key ANNNBEZJTNCXHY-NSCUHMNNSA-N
Molecular Formula C15H14O4
11

Methyl 3-Iodo-4-methylbenzoate 98.0+%, TCI America™

CAS: 90347-66-3 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.073 MDL Number: MFCD00230583 InChI Key: NKMHAOTZPFVSPC-UHFFFAOYSA-N Synonym: 3-iodo-4-methylbenzoic acid methyl ester,methyl 3-iodo-p-toluate,methyl-3-iodo-4-methylbenzoate,methyl 3-iodo-4-methyl-benzoate,2-iodo-4-methoxycarbonyl toluene,benzoic acid, 3-iodo-4-methyl-, methyl ester,methyl3-iodo-4-methylbenzoate,3-iodo-4-methylbenzoic acidmethyl ester,methyl 3-iodo-4-meth,ksc495m1r PubChem CID: 13614033 IUPAC Name: methyl 3-iodo-4-methylbenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)I

PubChem CID 13614033
CAS 90347-66-3
Molecular Weight (g/mol) 276.073
MDL Number MFCD00230583
SMILES CC1=C(C=C(C=C1)C(=O)OC)I
Synonym 3-iodo-4-methylbenzoic acid methyl ester,methyl 3-iodo-p-toluate,methyl-3-iodo-4-methylbenzoate,methyl 3-iodo-4-methyl-benzoate,2-iodo-4-methoxycarbonyl toluene,benzoic acid, 3-iodo-4-methyl-, methyl ester,methyl3-iodo-4-methylbenzoate,3-iodo-4-methylbenzoic acidmethyl ester,methyl 3-iodo-4-meth,ksc495m1r
IUPAC Name methyl 3-iodo-4-methylbenzoate
InChI Key NKMHAOTZPFVSPC-UHFFFAOYSA-N
Molecular Formula C9H9IO2
12

4-tert-Butyl-3-methoxy-2,6-dinitrotoluene 99.0+%, TCI America™

CAS: 83-66-9 Molecular Formula: C12H16N2O5 Molecular Weight (g/mol): 268.269 MDL Number: MFCD00024268 InChI Key: SUAUILGSCPYJCS-UHFFFAOYSA-N Synonym: 6-tert-Butyl-3-methyl-2,4-dinitroanisole PubChem CID: 6753 ChEBI: CHEBI:82495 IUPAC Name: 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene SMILES: CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]

PubChem CID 6753
CAS 83-66-9
Molecular Weight (g/mol) 268.269
ChEBI CHEBI:82495
MDL Number MFCD00024268
SMILES CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]
Synonym 6-tert-Butyl-3-methyl-2,4-dinitroanisole
IUPAC Name 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
InChI Key SUAUILGSCPYJCS-UHFFFAOYSA-N
Molecular Formula C12H16N2O5
13

2,6-Dichloro-4-(trifluoromethoxy)aniline 98.0+%, TCI America™

CAS: 99479-66-0 Molecular Formula: C7H4Cl2F3NO Molecular Weight (g/mol): 246.01 MDL Number: MFCD00190128 InChI Key: FKISQWQHZULEEG-UHFFFAOYSA-N Synonym: 2,6-dichloro-4-trifluoromethoxy aniline,benzenamine, 2,6-dichloro-4-trifluoromethoxy,2,6-dichloro-4-trifluoromethoxy phenylamine,pubchem8461,acmc-209scs,3.5-dichloro-4-amino trifluoromethoxybenzene,2,6-dichloro-4-trifluoromethoxy-phenylamine,3,5-dichloro-4-amino trifluoromethoxybenzene,3,5-dichloro-4-aminotrifluoromethoxy benzene,2,6-dichloro-4-trifluoromethoxy benzenamine PubChem CID: 688247 IUPAC Name: 2,6-dichloro-4-(trifluoromethoxy)aniline SMILES: NC1=C(Cl)C=C(OC(F)(F)F)C=C1Cl

PubChem CID 688247
CAS 99479-66-0
Molecular Weight (g/mol) 246.01
MDL Number MFCD00190128
SMILES NC1=C(Cl)C=C(OC(F)(F)F)C=C1Cl
Synonym 2,6-dichloro-4-trifluoromethoxy aniline,benzenamine, 2,6-dichloro-4-trifluoromethoxy,2,6-dichloro-4-trifluoromethoxy phenylamine,pubchem8461,acmc-209scs,3.5-dichloro-4-amino trifluoromethoxybenzene,2,6-dichloro-4-trifluoromethoxy-phenylamine,3,5-dichloro-4-amino trifluoromethoxybenzene,3,5-dichloro-4-aminotrifluoromethoxy benzene,2,6-dichloro-4-trifluoromethoxy benzenamine
IUPAC Name 2,6-dichloro-4-(trifluoromethoxy)aniline
InChI Key FKISQWQHZULEEG-UHFFFAOYSA-N
Molecular Formula C7H4Cl2F3NO
14

Methyl 3,5-Dibromo-4-methylbenzoate 98.0+%, TCI America™

CAS: 74896-66-5 Molecular Formula: C9H8Br2O2 Molecular Weight (g/mol): 307.97 MDL Number: MFCD00010729 InChI Key: SRLAXDDPVYZYNI-UHFFFAOYSA-N Synonym: 3,5-dibromo-4-methylbenzoic acid methyl ester,methyl 3,5-dibromo-p-toluate,3,5-dibromo-p-toluic acid methyl ester,pubchem4611,methyl3,5-dibromo-4-methylbenzoate,acmc-1bm25,zerenex e/9072914,methyl 3,5-dibromo-4-methyl-benzoate,methyl 3,5-bis bromanyl-4-methyl-benzoate,2,6-dibromo-4-methoxycarbonyl toluene PubChem CID: 624016 IUPAC Name: methyl 3,5-dibromo-4-methylbenzoate SMILES: COC(=O)C1=CC(Br)=C(C)C(Br)=C1

PubChem CID 624016
CAS 74896-66-5
Molecular Weight (g/mol) 307.97
MDL Number MFCD00010729
SMILES COC(=O)C1=CC(Br)=C(C)C(Br)=C1
Synonym 3,5-dibromo-4-methylbenzoic acid methyl ester,methyl 3,5-dibromo-p-toluate,3,5-dibromo-p-toluic acid methyl ester,pubchem4611,methyl3,5-dibromo-4-methylbenzoate,acmc-1bm25,zerenex e/9072914,methyl 3,5-dibromo-4-methyl-benzoate,methyl 3,5-bis bromanyl-4-methyl-benzoate,2,6-dibromo-4-methoxycarbonyl toluene
IUPAC Name methyl 3,5-dibromo-4-methylbenzoate
InChI Key SRLAXDDPVYZYNI-UHFFFAOYSA-N
Molecular Formula C9H8Br2O2
15

Chem-Impex International, Inc. Anisole | 100-66-3 | MFCD00008354 | 250ML

Anisole, 100-66-3, MFCD00008354, 250ML

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