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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 (118)
Phenols (19)
Naphthalenes (10)
Thiophenols (5)
Unsubstituted Phenols (4)
Phenol esters (2)

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1 – 15 of 146 results
1

4-Fluorophenyl isocyanate, 99%

CAS: 1195-45-5 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.11 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) 137.11
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

4-(Trifluoromethyl)benzyl Chloride 97.0+%, TCI America™

CAS: 939-99-1 Molecular Formula: C8H6ClF3 Molecular Weight (g/mol): 194.581 MDL Number: MFCD00040772 InChI Key: MCHDHQVROPEJJT-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl chloride,4-trifluoromethylbenzyl chloride,1-chloromethyl-4-trifluoromethyl benzene,p-trifluoromethylbenzyl chloride,ccris 5110,4-chloromethyl benzotrifluoride,p-trifluoromethyl benzyl chloride,benzene, 1-chloromethyl-4-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-p-xylene PubChem CID: 123096 IUPAC Name: 1-(chloromethyl)-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1CCl)C(F)(F)F

PubChem CID 123096
CAS 939-99-1
Molecular Weight (g/mol) 194.581
MDL Number MFCD00040772
SMILES C1=CC(=CC=C1CCl)C(F)(F)F
Synonym 4-trifluoromethyl benzyl chloride,4-trifluoromethylbenzyl chloride,1-chloromethyl-4-trifluoromethyl benzene,p-trifluoromethylbenzyl chloride,ccris 5110,4-chloromethyl benzotrifluoride,p-trifluoromethyl benzyl chloride,benzene, 1-chloromethyl-4-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-p-xylene
IUPAC Name 1-(chloromethyl)-4-(trifluoromethyl)benzene
InChI Key MCHDHQVROPEJJT-UHFFFAOYSA-N
Molecular Formula C8H6ClF3
3

4-(Trifluoromethyl)thiophenol, 97%

CAS: 825-83-2 Molecular Formula: C7H5F3S Molecular Weight (g/mol): 178.172 MDL Number: MFCD00042320 InChI Key: WCMLRSZJUIKVCW-UHFFFAOYSA-N Synonym: 4-trifluoromethyl thiophenol,4-trifluoromethyl benzenethiol,4-trifluoromethyl benzene-1-thiol,4-trifluoromethylthiophenol,4-mercaptobenzotrifluoride,benzenethiol, 4-trifluoromethyl,4-trifluoromethyl t,acmc-20amtl,pubchem6864 PubChem CID: 136653 IUPAC Name: 4-(trifluoromethyl)benzenethiol SMILES: C1=CC(=CC=C1C(F)(F)F)S

PubChem CID 136653
CAS 825-83-2
Molecular Weight (g/mol) 178.172
MDL Number MFCD00042320
SMILES C1=CC(=CC=C1C(F)(F)F)S
Synonym 4-trifluoromethyl thiophenol,4-trifluoromethyl benzenethiol,4-trifluoromethyl benzene-1-thiol,4-trifluoromethylthiophenol,4-mercaptobenzotrifluoride,benzenethiol, 4-trifluoromethyl,4-trifluoromethyl t,acmc-20amtl,pubchem6864
IUPAC Name 4-(trifluoromethyl)benzenethiol
InChI Key WCMLRSZJUIKVCW-UHFFFAOYSA-N
Molecular Formula C7H5F3S
4

3-(Trifluoromethyl)benzyl chloride, 98%

CAS: 705-29-3 Molecular Formula: C8H6ClF3 Molecular Weight (g/mol): 194.581 MDL Number: MFCD00000908 InChI Key: XGASTRVQNVVYIZ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride PubChem CID: 69716 IUPAC Name: 1-(chloromethyl)-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCl

PubChem CID 69716
CAS 705-29-3
Molecular Weight (g/mol) 194.581
MDL Number MFCD00000908
SMILES C1=CC(=CC(=C1)C(F)(F)F)CCl
Synonym 3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride
IUPAC Name 1-(chloromethyl)-3-(trifluoromethyl)benzene
InChI Key XGASTRVQNVVYIZ-UHFFFAOYSA-N
Molecular Formula C8H6ClF3
5

4-Fluorophenyl Isocyanate 98.0+%, TCI America™

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
6

3,5-Difluorophenol 98.0+%, TCI America™

CAS: 2713-34-0 Molecular Formula: C6H4F2O Molecular Weight (g/mol): 130.09 MDL Number: MFCD00002255 InChI Key: HJSSBIMVTMYKPD-UHFFFAOYSA-N Synonym: phenol, 3,5-difluoro,3,5-difluoro phenol,phenol,3,5-difluoro,3,5difluorophenol,3,5-difluorphenol,3.5-difluorophenol,3,5-difluoro-phenol,phenol derivative, 6,pubchem1496,acmc-209gvc PubChem CID: 75928 IUPAC Name: 3,5-difluorophenol SMILES: OC1=CC(F)=CC(F)=C1

PubChem CID 75928
CAS 2713-34-0
Molecular Weight (g/mol) 130.09
MDL Number MFCD00002255
SMILES OC1=CC(F)=CC(F)=C1
Synonym phenol, 3,5-difluoro,3,5-difluoro phenol,phenol,3,5-difluoro,3,5difluorophenol,3,5-difluorphenol,3.5-difluorophenol,3,5-difluoro-phenol,phenol derivative, 6,pubchem1496,acmc-209gvc
IUPAC Name 3,5-difluorophenol
InChI Key HJSSBIMVTMYKPD-UHFFFAOYSA-N
Molecular Formula C6H4F2O
7

3-Chloro-4-fluorothiophenol, 97%

CAS: 60811-23-6 Molecular Formula: C6H3ClFS Molecular Weight (g/mol): 161.60 MDL Number: MFCD00052938 InChI Key: SFSHSIFYTWIGSF-UHFFFAOYSA-M Synonym: 3-chloro-4-fluorothiophenol,3-chloro-4-fluorobenzene-1-thiol,3-chloro-4-fluoro-benzenethiol,pubchem2857,acmc-209wz2,3-chloro-4-flurothiophenol,benzenethiol, 3-chloro-4-fluoro PubChem CID: 2734197 IUPAC Name: 3-chloro-4-fluorobenzenethiol SMILES: FC1=CC=C([S-])C=C1Cl

PubChem CID 2734197
CAS 60811-23-6
Molecular Weight (g/mol) 161.60
MDL Number MFCD00052938
SMILES FC1=CC=C([S-])C=C1Cl
Synonym 3-chloro-4-fluorothiophenol,3-chloro-4-fluorobenzene-1-thiol,3-chloro-4-fluoro-benzenethiol,pubchem2857,acmc-209wz2,3-chloro-4-flurothiophenol,benzenethiol, 3-chloro-4-fluoro
IUPAC Name 3-chloro-4-fluorobenzenethiol
InChI Key SFSHSIFYTWIGSF-UHFFFAOYSA-M
Molecular Formula C6H3ClFS
8

4-Iodobenzotrifluoride, 98%

CAS: 455-13-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I

PubChem CID 67993
CAS 455-13-0
Molecular Weight (g/mol) 272.009
MDL Number MFCD00039398
SMILES C1=CC(=CC=C1C(F)(F)F)I
Synonym 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene
IUPAC Name 1-iodo-4-(trifluoromethyl)benzene
InChI Key SKGRFPGOGCHDPC-UHFFFAOYSA-N
Molecular Formula C7H4F3I
9

4-Bromo-2-fluorotoluene, 99%

CAS: 51436-99-8 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00013551 InChI Key: YZFVUQSAJMLFOZ-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene PubChem CID: 171040 IUPAC Name: 4-bromo-2-fluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)Br)F

PubChem CID 171040
CAS 51436-99-8
Molecular Weight (g/mol) 189.027
MDL Number MFCD00013551
SMILES CC1=C(C=C(C=C1)Br)F
Synonym 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene
IUPAC Name 4-bromo-2-fluoro-1-methylbenzene
InChI Key YZFVUQSAJMLFOZ-UHFFFAOYSA-N
Molecular Formula C7H6BrF
10

2,3,6-Trifluorobenzaldehyde, 97%, Thermo Scientific™

CAS: 104451-70-9 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.10 MDL Number: MFCD00061195 InChI Key: XSBAHBVACIKRTG-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3,6-trifluoro,2,3,6-trifluoro-benzaldehyde,pubchem1467,acmc-1bqm6,2,3,6-trifluorobenzoaldehyde,ksc494g2t,2,3,6-trifluoro benzaldehyde,timtec-bb sbb003970,attercop-chm at111497 PubChem CID: 517845 IUPAC Name: 2,3,6-trifluorobenzaldehyde SMILES: FC1=CC=C(F)C(C=O)=C1F

PubChem CID 517845
CAS 104451-70-9
Molecular Weight (g/mol) 160.10
MDL Number MFCD00061195
SMILES FC1=CC=C(F)C(C=O)=C1F
Synonym benzaldehyde, 2,3,6-trifluoro,2,3,6-trifluoro-benzaldehyde,pubchem1467,acmc-1bqm6,2,3,6-trifluorobenzoaldehyde,ksc494g2t,2,3,6-trifluoro benzaldehyde,timtec-bb sbb003970,attercop-chm at111497
IUPAC Name 2,3,6-trifluorobenzaldehyde
InChI Key XSBAHBVACIKRTG-UHFFFAOYSA-N
Molecular Formula C7H3F3O
11

3,5-Difluorophenol, 98+%

CAS: 2713-34-0 Molecular Formula: C6H4F2O Molecular Weight (g/mol): 130.09 MDL Number: MFCD00002255 InChI Key: HJSSBIMVTMYKPD-UHFFFAOYSA-N PubChem CID: 75928 IUPAC Name: 3,5-difluorophenol SMILES: OC1=CC(F)=CC(F)=C1

PubChem CID 75928
CAS 2713-34-0
Molecular Weight (g/mol) 130.09
MDL Number MFCD00002255
SMILES OC1=CC(F)=CC(F)=C1
IUPAC Name 3,5-difluorophenol
InChI Key HJSSBIMVTMYKPD-UHFFFAOYSA-N
Molecular Formula C6H4F2O
12

Thioanisole 99.0+%, TCI America™

CAS: 100-68-5 Molecular Formula: C7H8S Molecular Weight (g/mol): 124.201 MDL Number: MFCD00008559 InChI Key: HNKJADCVZUBCPG-UHFFFAOYSA-N Synonym: thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene PubChem CID: 7520 IUPAC Name: methylsulfanylbenzene SMILES: CSC1=CC=CC=C1

PubChem CID 7520
CAS 100-68-5
Molecular Weight (g/mol) 124.201
MDL Number MFCD00008559
SMILES CSC1=CC=CC=C1
Synonym thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene
IUPAC Name methylsulfanylbenzene
InChI Key HNKJADCVZUBCPG-UHFFFAOYSA-N
Molecular Formula C7H8S
13

2-Fluoro-5-iodotoluene 98.0+%, TCI America™

CAS: 452-68-6 Molecular Formula: C7H6FI Molecular Weight (g/mol): 236.028 MDL Number: MFCD00013710 InChI Key: DYQIYXDSKUUZRI-UHFFFAOYSA-N Synonym: 2-fluoro-5-iodotoluene,benzene, 1-fluoro-4-iodo-2-methyl,1-fluoro-4-iodo-2-methyl-benzene,pubchem1619,2-fluoro-5-iodootoluene,acmc-20a0l4,ksc493m8f,4-fluoro-3-methyl-iodobenzene,buttpark 45\01-60 PubChem CID: 521178 IUPAC Name: 1-fluoro-4-iodo-2-methylbenzene SMILES: CC1=C(C=CC(=C1)I)F

PubChem CID 521178
CAS 452-68-6
Molecular Weight (g/mol) 236.028
MDL Number MFCD00013710
SMILES CC1=C(C=CC(=C1)I)F
Synonym 2-fluoro-5-iodotoluene,benzene, 1-fluoro-4-iodo-2-methyl,1-fluoro-4-iodo-2-methyl-benzene,pubchem1619,2-fluoro-5-iodootoluene,acmc-20a0l4,ksc493m8f,4-fluoro-3-methyl-iodobenzene,buttpark 45\01-60
IUPAC Name 1-fluoro-4-iodo-2-methylbenzene
InChI Key DYQIYXDSKUUZRI-UHFFFAOYSA-N
Molecular Formula C7H6FI
14

3,5-Dimethylphenol 98.0+%, TCI America™

CAS: 108-68-9 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002307 InChI Key: TUAMRELNJMMDMT-UHFFFAOYSA-N Synonym: 3,5-xylenol,sym-m-xylenol,phenol, 3,5-dimethyl,1,3,5-xylenol,3,5-dmp,1-hydroxy-3,5-dimethylbenzene,3,5-dimethyl phenol,5-hydroxy-m-xylene,xylenol 200,unii-ona760g0wa PubChem CID: 7948 ChEBI: CHEBI:38572 IUPAC Name: 3,5-dimethylphenol SMILES: CC1=CC(O)=CC(C)=C1

PubChem CID 7948
CAS 108-68-9
Molecular Weight (g/mol) 122.17
ChEBI CHEBI:38572
MDL Number MFCD00002307
SMILES CC1=CC(O)=CC(C)=C1
Synonym 3,5-xylenol,sym-m-xylenol,phenol, 3,5-dimethyl,1,3,5-xylenol,3,5-dmp,1-hydroxy-3,5-dimethylbenzene,3,5-dimethyl phenol,5-hydroxy-m-xylene,xylenol 200,unii-ona760g0wa
IUPAC Name 3,5-dimethylphenol
InChI Key TUAMRELNJMMDMT-UHFFFAOYSA-N
Molecular Formula C8H10O
15

2-Bromo-5-methoxybenzoic Acid 98.0+%, TCI America™

CAS: 22921-68-2 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD00020214 InChI Key: ODHJOROUCITYNF-UHFFFAOYSA-N Synonym: 6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid PubChem CID: 89906 IUPAC Name: 2-bromo-5-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)Br)C(=O)O

PubChem CID 89906
CAS 22921-68-2
Molecular Weight (g/mol) 231.045
MDL Number MFCD00020214
SMILES COC1=CC(=C(C=C1)Br)C(=O)O
Synonym 6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid
IUPAC Name 2-bromo-5-methoxybenzoic acid
InChI Key ODHJOROUCITYNF-UHFFFAOYSA-N
Molecular Formula C8H7BrO3