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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 (67,767)
Phenols (13,514)
Naphthalenes (5,075)
Fluorenes (1,235)
Unsubstituted Phenols (1,166)
Thiophenols (617)
Phenol esters (564)
Anthracenes (413)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
Pyrenes (229)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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5,866 – 5,880 of 78,692 results
5,866

2,4,6-Trimethoxybenzonitrile, 98%

CAS: 2571-54-2 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00001787 InChI Key: GBRHJUMDNWLSCT-UHFFFAOYSA-N PubChem CID: 75731 IUPAC Name: 2,4,6-trimethoxybenzonitrile SMILES: COC1=CC(=C(C(=C1)OC)C#N)OC

PubChem CID 75731
CAS 2571-54-2
Molecular Weight (g/mol) 193.202
MDL Number MFCD00001787
SMILES COC1=CC(=C(C(=C1)OC)C#N)OC
IUPAC Name 2,4,6-trimethoxybenzonitrile
InChI Key GBRHJUMDNWLSCT-UHFFFAOYSA-N
Molecular Formula C10H11NO3
5,867

2-Fluoro-5-methoxybenzonitrile, 98%, Thermo Scientific Chemicals

CAS: 127667-01-0 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00142921 InChI Key: VBZLRHYLNXWZIU-UHFFFAOYSA-N Synonym: 2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21 PubChem CID: 2774546 IUPAC Name: 2-fluoro-5-methoxybenzonitrile SMILES: COC1=CC(C#N)=C(F)C=C1

PubChem CID 2774546
CAS 127667-01-0
Molecular Weight (g/mol) 151.14
MDL Number MFCD00142921
SMILES COC1=CC(C#N)=C(F)C=C1
Synonym 2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21
IUPAC Name 2-fluoro-5-methoxybenzonitrile
InChI Key VBZLRHYLNXWZIU-UHFFFAOYSA-N
Molecular Formula C8H6FNO
5,868

4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate, 97%

CAS: 23163-86-2 Molecular Formula: C8H3ClF3NS Molecular Weight (g/mol): 237.624 MDL Number: MFCD00041090 InChI Key: AHFPRSSHNSGRCU-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisothiocyanate,4-chloro-3-trifluoromethylphenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-chloro-4-isothiocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethyl benzenisothiocyanate,acmc-20amlf,pubchem5016,4-chloro-3-trifluoromethylphenylisothiocyanate PubChem CID: 520026 IUPAC Name: 1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1N=C=S)C(F)(F)F)Cl

PubChem CID 520026
CAS 23163-86-2
Molecular Weight (g/mol) 237.624
MDL Number MFCD00041090
SMILES C1=CC(=C(C=C1N=C=S)C(F)(F)F)Cl
Synonym 4-chloro-3-trifluoromethyl phenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisothiocyanate,4-chloro-3-trifluoromethylphenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-chloro-4-isothiocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethyl benzenisothiocyanate,acmc-20amlf,pubchem5016,4-chloro-3-trifluoromethylphenylisothiocyanate
IUPAC Name 1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene
InChI Key AHFPRSSHNSGRCU-UHFFFAOYSA-N
Molecular Formula C8H3ClF3NS
5,869

2-(Trifluoromethyl)benzeneboronic acid, 97%

CAS: 1423-27-4 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.928 MDL Number: MFCD00236059 InChI Key: JNSBEPKGFVENFS-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylboronic acid,2-trifluoromethylphenylboronic acid,2-trifluoromethyl phenyl boronic acid,2-trifluoromethyl benzeneboronic acid,2-trifluoromethyl phenyl boranediol,o-trifluoromethylphenylboronic acid,2-boronobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolueneboronic acid PubChem CID: 2734387 IUPAC Name: [2-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC=CC=C1C(F)(F)F)(O)O

PubChem CID 2734387
CAS 1423-27-4
Molecular Weight (g/mol) 189.928
MDL Number MFCD00236059
SMILES B(C1=CC=CC=C1C(F)(F)F)(O)O
Synonym 2-trifluoromethyl phenylboronic acid,2-trifluoromethylphenylboronic acid,2-trifluoromethyl phenyl boronic acid,2-trifluoromethyl benzeneboronic acid,2-trifluoromethyl phenyl boranediol,o-trifluoromethylphenylboronic acid,2-boronobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolueneboronic acid
IUPAC Name [2-(trifluoromethyl)phenyl]boronic acid
InChI Key JNSBEPKGFVENFS-UHFFFAOYSA-N
Molecular Formula C7H6BF3O2
5,870

tert-Butyl N-{2-[2-amino-4-(trifluoromethyl)anilino]ethyl}carbamate, 95%, Thermo Scientific™

CAS: 215655-42-8 Molecular Formula: C14H20F3N3O2 Molecular Weight (g/mol): 319.328 MDL Number: MFCD00728760 InChI Key: LBPALYCQELHDIC-UHFFFAOYSA-N Synonym: tert-butyl n-2-2-amino-4-trifluoromethyl anilino ethyl carbamate,tert-butyl n-2-2-amino-4-trifluoromethyl phenyl amino ethyl carbamate,tert-butyl 2-2-amino-4-trifluoromethyl phenyl amino ethylcarbamate,tert-butyl-n-2-2-amino-4-trifluoromethyl anilino ethyl carbamate,n-2-2-amino-4-trifluoromethyl phenyl amino ethyl tert-butoxy carboxamide,maybridge1_000225,tert-butyl 2-2-amino-4-trifluoromethyl anilino ethyl carbamate,t-butyl n-2-2-amino-4-trifluoromethyl anilino ethylcarbamate PubChem CID: 2773437 IUPAC Name: tert-butyl N-[2-[2-amino-4-(trifluoromethyl)anilino]ethyl]carbamate SMILES: CC(C)(C)OC(=O)NCCNC1=C(C=C(C=C1)C(F)(F)F)N

PubChem CID 2773437
CAS 215655-42-8
Molecular Weight (g/mol) 319.328
MDL Number MFCD00728760
SMILES CC(C)(C)OC(=O)NCCNC1=C(C=C(C=C1)C(F)(F)F)N
Synonym tert-butyl n-2-2-amino-4-trifluoromethyl anilino ethyl carbamate,tert-butyl n-2-2-amino-4-trifluoromethyl phenyl amino ethyl carbamate,tert-butyl 2-2-amino-4-trifluoromethyl phenyl amino ethylcarbamate,tert-butyl-n-2-2-amino-4-trifluoromethyl anilino ethyl carbamate,n-2-2-amino-4-trifluoromethyl phenyl amino ethyl tert-butoxy carboxamide,maybridge1_000225,tert-butyl 2-2-amino-4-trifluoromethyl anilino ethyl carbamate,t-butyl n-2-2-amino-4-trifluoromethyl anilino ethylcarbamate
IUPAC Name tert-butyl N-[2-[2-amino-4-(trifluoromethyl)anilino]ethyl]carbamate
InChI Key LBPALYCQELHDIC-UHFFFAOYSA-N
Molecular Formula C14H20F3N3O2
5,871

2-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis

CAS: 745783-91-9 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.13 MDL Number: MFCD08533288 InChI Key: HBOSPPHIPGYHDI-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylglyoxal hydrate,2-oxo-2-2-trifluoromethyl phenyl acetaldehyde hydrate,2-oxo-2-2-trifluoromethyl phenyl ethanal, oxamethane,benzeneacetaldehyde, a-oxo-2-trifluoromethyl-,hydrate 1:1 PubChem CID: 2783281 IUPAC Name: 2-oxo-2-[2-(trifluoromethyl)phenyl]acetaldehyde;hydrate SMILES: FC(F)(F)C1=CC=CC=C1C(=O)C=O

PubChem CID 2783281
CAS 745783-91-9
Molecular Weight (g/mol) 202.13
MDL Number MFCD08533288
SMILES FC(F)(F)C1=CC=CC=C1C(=O)C=O
Synonym 2-trifluoromethyl phenylglyoxal hydrate,2-oxo-2-2-trifluoromethyl phenyl acetaldehyde hydrate,2-oxo-2-2-trifluoromethyl phenyl ethanal, oxamethane,benzeneacetaldehyde, a-oxo-2-trifluoromethyl-,hydrate 1:1
IUPAC Name 2-oxo-2-[2-(trifluoromethyl)phenyl]acetaldehyde;hydrate
InChI Key HBOSPPHIPGYHDI-UHFFFAOYSA-N
Molecular Formula C9H5F3O2
5,872

3-Chloro-2-methylanisole, 97%

CAS: 3260-88-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00070772 InChI Key: LTVRGAWOEOKGJZ-UHFFFAOYSA-N Synonym: 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa PubChem CID: 76749 IUPAC Name: 1-chloro-3-methoxy-2-methylbenzene SMILES: COC1=CC=CC(Cl)=C1C

PubChem CID 76749
CAS 3260-88-6
Molecular Weight (g/mol) 156.61
MDL Number MFCD00070772
SMILES COC1=CC=CC(Cl)=C1C
Synonym 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa
IUPAC Name 1-chloro-3-methoxy-2-methylbenzene
InChI Key LTVRGAWOEOKGJZ-UHFFFAOYSA-N
Molecular Formula C8H9ClO
5,873

2-Nitrobenzotrifluoride, 98%, Thermo Scientific™

CAS: 384-22-5 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.11 MDL Number: MFCD00007145 InChI Key: NDZJSUCUYPZXPR-UHFFFAOYSA-N Synonym: 2-nitrobenzotrifluoride,1-nitro-2-trifluoromethyl benzene,o-nitrobenzotrifluoride,2-nitro-alpha,alpha,alpha-trifluorotoluene,o-trifluoromethyl nitrobenzene,benzene, 1-nitro-2-trifluoromethyl,unii-ovb3l8givj,ccris 2813,benzene, nitro trifluoromethyl,ovb3l8givj PubChem CID: 9795 IUPAC Name: 1-nitro-2-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=CC=C1C(F)(F)F

PubChem CID 9795
CAS 384-22-5
Molecular Weight (g/mol) 191.11
MDL Number MFCD00007145
SMILES [O-][N+](=O)C1=CC=CC=C1C(F)(F)F
Synonym 2-nitrobenzotrifluoride,1-nitro-2-trifluoromethyl benzene,o-nitrobenzotrifluoride,2-nitro-alpha,alpha,alpha-trifluorotoluene,o-trifluoromethyl nitrobenzene,benzene, 1-nitro-2-trifluoromethyl,unii-ovb3l8givj,ccris 2813,benzene, nitro trifluoromethyl,ovb3l8givj
IUPAC Name 1-nitro-2-(trifluoromethyl)benzene
InChI Key NDZJSUCUYPZXPR-UHFFFAOYSA-N
Molecular Formula C7H4F3NO2
5,874

3-Chloro-4-(trifluoromethyl)benzoic acid, 97%

CAS: 115754-20-6 Molecular Formula: C8H4ClF3O2 Molecular Weight (g/mol): 224.56 MDL Number: MFCD04972755 InChI Key: UDXPRKSPAZWHQN-UHFFFAOYSA-N Synonym: 3-chloro-4-trifluoromethyl benzoic acid,benzoic acid, 3-chloro-4-trifluoromethyl,3-chloro-4-trifluoromethyl-benzoic acid,acmc-1c5tn,chloro-4-trifluoromethyl benzoic acid,3-chloro-4-trifluoromethyl benzoic acid, jrd PubChem CID: 21180297 IUPAC Name: 3-chloro-4-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(Cl)=C(C=C1)C(F)(F)F

PubChem CID 21180297
CAS 115754-20-6
Molecular Weight (g/mol) 224.56
MDL Number MFCD04972755
SMILES OC(=O)C1=CC(Cl)=C(C=C1)C(F)(F)F
Synonym 3-chloro-4-trifluoromethyl benzoic acid,benzoic acid, 3-chloro-4-trifluoromethyl,3-chloro-4-trifluoromethyl-benzoic acid,acmc-1c5tn,chloro-4-trifluoromethyl benzoic acid,3-chloro-4-trifluoromethyl benzoic acid, jrd
IUPAC Name 3-chloro-4-(trifluoromethyl)benzoic acid
InChI Key UDXPRKSPAZWHQN-UHFFFAOYSA-N
Molecular Formula C8H4ClF3O2
5,875

4-Bromobenzotrifluoride, 99%

CAS: 402-43-7 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br

PubChem CID 67872
CAS 402-43-7
Molecular Weight (g/mol) 225.008
MDL Number MFCD00000398
SMILES C1=CC(=CC=C1C(F)(F)F)Br
Synonym 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene
IUPAC Name 1-bromo-4-(trifluoromethyl)benzene
InChI Key XLQSXGGDTHANLN-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
5,876

Benzyl Methyl Ether, Spectrum™ Chemical
SDP

CAS: 538-86-3

CAS 538-86-3
5,877

Benzyl Alcohol, NF, 98-100.5%, Spectrum™ Chemical
SDP

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

CAS 100-51-6
Molecular Weight (g/mol) 108.14
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
5,878

3-Bromo-4-fluorobenzyl bromide, 97%

CAS: 78239-71-1 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.92 MDL Number: MFCD09037367 InChI Key: ZRWSODQPUJMFRV-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorobenzyl bromide,2-bromo-4-bromomethyl-1-fluorobenzene,3-bromo-4-fluorobenzylbromide,benzene, 2-bromo-4-bromomethyl-1-fluoro,2-bromanyl-4-bromomethyl-1-fluoranyl-benzene,pubchem24015,acmc-209pdt,3-bromo-4-fluoro-benzyl bromide,2-bromo-4-bromomethyl-1-fluoro-benzene,benzene,2-bromo-4-bromomethyl-1-fluoro PubChem CID: 12922710 IUPAC Name: 2-bromo-4-(bromomethyl)-1-fluorobenzene SMILES: FC1=C(Br)C=C(CBr)C=C1

PubChem CID 12922710
CAS 78239-71-1
Molecular Weight (g/mol) 267.92
MDL Number MFCD09037367
SMILES FC1=C(Br)C=C(CBr)C=C1
Synonym 3-bromo-4-fluorobenzyl bromide,2-bromo-4-bromomethyl-1-fluorobenzene,3-bromo-4-fluorobenzylbromide,benzene, 2-bromo-4-bromomethyl-1-fluoro,2-bromanyl-4-bromomethyl-1-fluoranyl-benzene,pubchem24015,acmc-209pdt,3-bromo-4-fluoro-benzyl bromide,2-bromo-4-bromomethyl-1-fluoro-benzene,benzene,2-bromo-4-bromomethyl-1-fluoro
IUPAC Name 2-bromo-4-(bromomethyl)-1-fluorobenzene
InChI Key ZRWSODQPUJMFRV-UHFFFAOYSA-N
Molecular Formula C7H5Br2F
5,879

2,5-Dichlorobenzyl chloride, 97%

CAS: 2745-49-5 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.467 MDL Number: MFCD00035818 InChI Key: OMZINLIPPVNUOG-UHFFFAOYSA-N Synonym: 2,5-dichlorobenzyl chloride,1,4-dichloro-2-chloromethyl benzene,2,5-dichlorobenzylchloride,1,4-dichloro-2-chloromethyl-benzene,unii-g46i9555fb,benzene, 1,4-dichloro-2-chloromethyl,acmc-20a58t,alpha,2,5-trichlorotoluene,unii-6q4qcu6n2r component PubChem CID: 75976 IUPAC Name: 1,4-dichloro-2-(chloromethyl)benzene SMILES: C1=CC(=C(C=C1Cl)CCl)Cl

PubChem CID 75976
CAS 2745-49-5
Molecular Weight (g/mol) 195.467
MDL Number MFCD00035818
SMILES C1=CC(=C(C=C1Cl)CCl)Cl
Synonym 2,5-dichlorobenzyl chloride,1,4-dichloro-2-chloromethyl benzene,2,5-dichlorobenzylchloride,1,4-dichloro-2-chloromethyl-benzene,unii-g46i9555fb,benzene, 1,4-dichloro-2-chloromethyl,acmc-20a58t,alpha,2,5-trichlorotoluene,unii-6q4qcu6n2r component
IUPAC Name 1,4-dichloro-2-(chloromethyl)benzene
InChI Key OMZINLIPPVNUOG-UHFFFAOYSA-N
Molecular Formula C7H5Cl3
5,880

N-Boc-O-benzyl-L-threonine, 99%

CAS: 15260-10-3 Molecular Formula: C16H23NO5 Molecular Weight (g/mol): 309.36 MDL Number: MFCD00066062 InChI Key: CTXPLTPDOISPTE-YPMHNXCESA-N Synonym: boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid PubChem CID: 1549483 IUPAC Name: (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoic acid SMILES: C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O

PubChem CID 1549483
CAS 15260-10-3
Molecular Weight (g/mol) 309.36
MDL Number MFCD00066062
SMILES C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O
Synonym boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid
IUPAC Name (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoic acid
InChI Key CTXPLTPDOISPTE-YPMHNXCESA-N
Molecular Formula C16H23NO5