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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.
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1,261 – 1,275 of 64,633 results
1,261

2-Fluorotoluene, 99+%

CAS: 95-52-3 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.131 MDL Number: MFCD00000322 InChI Key: MMZYCBHLNZVROM-UHFFFAOYSA-N Synonym: 2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h PubChem CID: 7241 IUPAC Name: 1-fluoro-2-methylbenzene SMILES: CC1=CC=CC=C1F

PubChem CID 7241
CAS 95-52-3
Molecular Weight (g/mol) 110.131
MDL Number MFCD00000322
SMILES CC1=CC=CC=C1F
Synonym 2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h
IUPAC Name 1-fluoro-2-methylbenzene
InChI Key MMZYCBHLNZVROM-UHFFFAOYSA-N
Molecular Formula C7H7F
1,262

1,2-Difluorobenzene, 98%

CAS: 367-11-3 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000284 InChI Key: GOYDNIKZWGIXJT-UHFFFAOYSA-N Synonym: o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene PubChem CID: 9706 ChEBI: CHEBI:38583 IUPAC Name: 1,2-difluorobenzene SMILES: FC1=CC=CC=C1F

PubChem CID 9706
CAS 367-11-3
Molecular Weight (g/mol) 114.10
ChEBI CHEBI:38583
MDL Number MFCD00000284
SMILES FC1=CC=CC=C1F
Synonym o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene
IUPAC Name 1,2-difluorobenzene
InChI Key GOYDNIKZWGIXJT-UHFFFAOYSA-N
Molecular Formula C6H4F2
1,263

2,3-Difluorophenylacetic acid, 98%

CAS: 145689-41-4 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00040968 InChI Key: UXSQXUSJGPVOKT-UHFFFAOYSA-N Synonym: 2,3-difluorophenylacetic acid,2-2,3-difluorophenyl acetic acid,2,3-difluorophenyl acetic acid,2,3-difluorophenylaceticacid,benzeneacetic acid, 2,3-difluoro,2,3-difluorobenzeneacetic acid,rarechem al bo 0630,pubchem1916,acmc-1crot PubChem CID: 520772 IUPAC Name: 2-(2,3-difluorophenyl)acetic acid SMILES: C1=CC(=C(C(=C1)F)F)CC(=O)O

PubChem CID 520772
CAS 145689-41-4
Molecular Weight (g/mol) 172.131
MDL Number MFCD00040968
SMILES C1=CC(=C(C(=C1)F)F)CC(=O)O
Synonym 2,3-difluorophenylacetic acid,2-2,3-difluorophenyl acetic acid,2,3-difluorophenyl acetic acid,2,3-difluorophenylaceticacid,benzeneacetic acid, 2,3-difluoro,2,3-difluorobenzeneacetic acid,rarechem al bo 0630,pubchem1916,acmc-1crot
IUPAC Name 2-(2,3-difluorophenyl)acetic acid
InChI Key UXSQXUSJGPVOKT-UHFFFAOYSA-N
Molecular Formula C8H6F2O2
1,264

2,3-Difluorotoluene, 97%, Thermo Scientific™

CAS: 3828-49-7 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.12 MDL Number: MFCD01631506 InChI Key: ZNEHIDGAPGVZSA-UHFFFAOYSA-N Synonym: 2,3-difluorotoluene,1,2-difluoro-3-methyl-benzene,benzene, 1,2-difluoro-3-methyl,2,3-difluoro methyl benzene,pubchem1610,2,3-difluoro toluene,acmc-209iz4,2.3-difluoro methyl benzene,ksc493c6t PubChem CID: 2774228 IUPAC Name: 1,2-difluoro-3-methylbenzene SMILES: CC1=CC=CC(F)=C1F

PubChem CID 2774228
CAS 3828-49-7
Molecular Weight (g/mol) 128.12
MDL Number MFCD01631506
SMILES CC1=CC=CC(F)=C1F
Synonym 2,3-difluorotoluene,1,2-difluoro-3-methyl-benzene,benzene, 1,2-difluoro-3-methyl,2,3-difluoro methyl benzene,pubchem1610,2,3-difluoro toluene,acmc-209iz4,2.3-difluoro methyl benzene,ksc493c6t
IUPAC Name 1,2-difluoro-3-methylbenzene
InChI Key ZNEHIDGAPGVZSA-UHFFFAOYSA-N
Molecular Formula C7H6F2
1,265

4-Fluoro-trans-beta-styrylboronic acid pinacol ester, 97%

CAS: 504433-86-7 Molecular Formula: C14H18BFO2 Molecular Weight (g/mol): 248.10 MDL Number: MFCD12546189 InChI Key: ZJRAXVMUDOVAOD-UHFFFAOYSA-N Synonym: e-2-4-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-fluoro-trans-beta-styrylboronic acid pinacol ester,2-e-2-4-fluorophenyl ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-p-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-e-4-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-trans-2-4-fluorophenyl vinyl-4,4,5,5-tetramethyl 1,3,2 dioxaborolane PubChem CID: 11207378 IUPAC Name: 2-[(E)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C=CC1=CC=C(F)C=C1

PubChem CID 11207378
CAS 504433-86-7
Molecular Weight (g/mol) 248.10
MDL Number MFCD12546189
SMILES CC1(C)OB(OC1(C)C)C=CC1=CC=C(F)C=C1
Synonym e-2-4-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-fluoro-trans-beta-styrylboronic acid pinacol ester,2-e-2-4-fluorophenyl ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-p-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-e-4-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-trans-2-4-fluorophenyl vinyl-4,4,5,5-tetramethyl 1,3,2 dioxaborolane
IUPAC Name 2-[(E)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key ZJRAXVMUDOVAOD-UHFFFAOYSA-N
Molecular Formula C14H18BFO2
1,266

1-Phenylvinylboronic acid pinacol ester, 95%, Thermo Scientific Chemicals

CAS: 143825-84-7 Molecular Formula: C14H19BO2 Molecular Weight (g/mol): 230.114 MDL Number: MFCD06659923 InChI Key: RMGBWPMWUZSIMH-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-1-phenylvinyl-1,3,2-dioxaborolane,1-phenylvinylboronic acid pinacol ester,2-1-phenylethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-1-phenylethenyl-1,3,2-dioxaborolane,1-phenylvinylboronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-1-phenylethenyl,1-phenylvinylboronic acid pinacolester,2-1-phenylvinyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,2-1-phenylvinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane PubChem CID: 11031671 IUPAC Name: 4,4,5,5-tetramethyl-2-(1-phenylethenyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C(=C)C2=CC=CC=C2

PubChem CID 11031671
CAS 143825-84-7
Molecular Weight (g/mol) 230.114
MDL Number MFCD06659923
SMILES B1(OC(C(O1)(C)C)(C)C)C(=C)C2=CC=CC=C2
Synonym 4,4,5,5-tetramethyl-2-1-phenylvinyl-1,3,2-dioxaborolane,1-phenylvinylboronic acid pinacol ester,2-1-phenylethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-1-phenylethenyl-1,3,2-dioxaborolane,1-phenylvinylboronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-1-phenylethenyl,1-phenylvinylboronic acid pinacolester,2-1-phenylvinyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,2-1-phenylvinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name 4,4,5,5-tetramethyl-2-(1-phenylethenyl)-1,3,2-dioxaborolane
InChI Key RMGBWPMWUZSIMH-UHFFFAOYSA-N
Molecular Formula C14H19BO2
1,267

2-Chloro-6-fluorobenzylideneacetone, 98%

CAS: 175136-82-0 Molecular Formula: C10H8ClFO Molecular Weight (g/mol): 198.621 MDL Number: MFCD00051608 InChI Key: VZRBDBXFAKDNDJ-AATRIKPKSA-N Synonym: 2-chloro-6-fluorobenzylideneacetone,3e-4-2-chloro-6-fluorophenyl but-3-en-2-one,4-2-chloro-6-fluorophenyl but-3-en-2-one,1-2-chloro-6-fluorophenyl but-1-en-3-one,e-4-2-chloro-6-fluoro-phenyl but-3-en-2-one,labotest-bb lt00455271,1-2-chloro-6-fluorophenyl-1-buten-2-one,e-4-2-chloro-6-fluorophenyl-3-buten-2-one,e-4-2-chloro-6-fluorophenyl but-3-en-2-one PubChem CID: 5373895 IUPAC Name: (E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one SMILES: CC(=O)C=CC1=C(C=CC=C1Cl)F

PubChem CID 5373895
CAS 175136-82-0
Molecular Weight (g/mol) 198.621
MDL Number MFCD00051608
SMILES CC(=O)C=CC1=C(C=CC=C1Cl)F
Synonym 2-chloro-6-fluorobenzylideneacetone,3e-4-2-chloro-6-fluorophenyl but-3-en-2-one,4-2-chloro-6-fluorophenyl but-3-en-2-one,1-2-chloro-6-fluorophenyl but-1-en-3-one,e-4-2-chloro-6-fluoro-phenyl but-3-en-2-one,labotest-bb lt00455271,1-2-chloro-6-fluorophenyl-1-buten-2-one,e-4-2-chloro-6-fluorophenyl-3-buten-2-one,e-4-2-chloro-6-fluorophenyl but-3-en-2-one
IUPAC Name (E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one
InChI Key VZRBDBXFAKDNDJ-AATRIKPKSA-N
Molecular Formula C10H8ClFO
1,268

2,4,6-Trimethylstyrene, 95%

CAS: 769-25-5 Molecular Formula: C11H14 Molecular Weight (g/mol): 146.23 InChI Key: PDELBHCVXBSVPJ-UHFFFAOYSA-N Synonym: 2,4,6-trimethylstyrene,1,3,5-trimethyl-2-vinylbenzene,2-vinylmesitylene,mesitylethylene,vinylmesitylene,styrene, 2,4,6-trimethyl,unii-89fv7yq871,benzene, 2-ethenyl-1,3,5-trimethyl,2,6-trimethylstyrene,styrene,4,6-trimethyl PubChem CID: 13036 IUPAC Name: 2-ethenyl-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)C=C)C

PubChem CID 13036
CAS 769-25-5
Molecular Weight (g/mol) 146.23
SMILES CC1=CC(=C(C(=C1)C)C=C)C
Synonym 2,4,6-trimethylstyrene,1,3,5-trimethyl-2-vinylbenzene,2-vinylmesitylene,mesitylethylene,vinylmesitylene,styrene, 2,4,6-trimethyl,unii-89fv7yq871,benzene, 2-ethenyl-1,3,5-trimethyl,2,6-trimethylstyrene,styrene,4,6-trimethyl
IUPAC Name 2-ethenyl-1,3,5-trimethylbenzene
InChI Key PDELBHCVXBSVPJ-UHFFFAOYSA-N
Molecular Formula C11H14
1,269

4-Fluorostyrene, 97%, stabilized

CAS: 405-99-2 Molecular Formula: C8H7F Molecular Weight (g/mol): 122.14 MDL Number: MFCD00000361 InChI Key: JWVTWJNGILGLAT-UHFFFAOYSA-N Synonym: 4-fluorostyrene,1-fluoro-4-vinylbenzene,p-fluorostyrene,benzene, 1-ethenyl-4-fluoro,styrene, p-fluoro,para-fluorostyrene,1-fluoro-4-vinyl-benzene,4-fluoro-styrene,acmc-1cszp PubChem CID: 67883 IUPAC Name: 1-ethenyl-4-fluorobenzene SMILES: C=CC1=CC=C(C=C1)F

PubChem CID 67883
CAS 405-99-2
Molecular Weight (g/mol) 122.14
MDL Number MFCD00000361
SMILES C=CC1=CC=C(C=C1)F
Synonym 4-fluorostyrene,1-fluoro-4-vinylbenzene,p-fluorostyrene,benzene, 1-ethenyl-4-fluoro,styrene, p-fluoro,para-fluorostyrene,1-fluoro-4-vinyl-benzene,4-fluoro-styrene,acmc-1cszp
IUPAC Name 1-ethenyl-4-fluorobenzene
InChI Key JWVTWJNGILGLAT-UHFFFAOYSA-N
Molecular Formula C8H7F
1,270

2-Phenylacrylic acid, 94%

CAS: 492-38-6 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 InChI Key: ONPJWQSDZCGSQM-UHFFFAOYSA-N Synonym: 2-phenylacrylic acid,atropic acid,acrylic acid, 2-phenyl,2-propenoic acid, 2-phenyl,unii-tw16ua35s0,benzeneacetic acid, .alpha.-methylene,.alpha.-phenyl acrylic acid,.alpha.-toluic acid, .alpha.-methylene,alpha-phenylacrylic acid,alpha-phenyl acrylic acid PubChem CID: 68114 IUPAC Name: 2-phenylprop-2-enoic acid SMILES: C=C(C1=CC=CC=C1)C(=O)O

PubChem CID 68114
CAS 492-38-6
Molecular Weight (g/mol) 148.16
SMILES C=C(C1=CC=CC=C1)C(=O)O
Synonym 2-phenylacrylic acid,atropic acid,acrylic acid, 2-phenyl,2-propenoic acid, 2-phenyl,unii-tw16ua35s0,benzeneacetic acid, .alpha.-methylene,.alpha.-phenyl acrylic acid,.alpha.-toluic acid, .alpha.-methylene,alpha-phenylacrylic acid,alpha-phenyl acrylic acid
IUPAC Name 2-phenylprop-2-enoic acid
InChI Key ONPJWQSDZCGSQM-UHFFFAOYSA-N
Molecular Formula C9H8O2
1,271

3-Chlorobenzylideneacetone, 98%

CAS: 20766-36-3 Molecular Formula: C10H9ClO Molecular Weight (g/mol): 180.631 MDL Number: MFCD00052851 InChI Key: VWEPXSRBBXPYSM-AATRIKPKSA-N Synonym: 3e-4-3-chlorophenyl but-3-en-2-one,e-4-3-chloro-phenyl-but-3-en-2-one,4-3-chlorophenyl but-3-en-2-one,e-4-3-chlorophenyl-but-3-en-2-one,3-chlorobenzylideneacetone,3-chloro-benzalacetone,3-chlorostyrylmethyl ketone,3-chlorobenzylidene acetone,chembl73680,e-4-3-chlorophenyl but-3-en-2-one PubChem CID: 5373975 IUPAC Name: (E)-4-(3-chlorophenyl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC(=CC=C1)Cl

PubChem CID 5373975
CAS 20766-36-3
Molecular Weight (g/mol) 180.631
MDL Number MFCD00052851
SMILES CC(=O)C=CC1=CC(=CC=C1)Cl
Synonym 3e-4-3-chlorophenyl but-3-en-2-one,e-4-3-chloro-phenyl-but-3-en-2-one,4-3-chlorophenyl but-3-en-2-one,e-4-3-chlorophenyl-but-3-en-2-one,3-chlorobenzylideneacetone,3-chloro-benzalacetone,3-chlorostyrylmethyl ketone,3-chlorobenzylidene acetone,chembl73680,e-4-3-chlorophenyl but-3-en-2-one
IUPAC Name (E)-4-(3-chlorophenyl)but-3-en-2-one
InChI Key VWEPXSRBBXPYSM-AATRIKPKSA-N
Molecular Formula C10H9ClO
1,272

alpha-Asarone

CAS: 2883-98-9 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00064457 InChI Key: RKFAZBXYICVSKP-AATRIKPKSA-N Synonym: alpha-asarone,asarone,trans-isoasarone,trans-asarone,asaron,azaron,etherophenol,trans-isoasaron,e-asarone,asarum camphor PubChem CID: 636822 ChEBI: CHEBI:78309 IUPAC Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC(=C(C=C1OC)OC)OC

PubChem CID 636822
CAS 2883-98-9
Molecular Weight (g/mol) 208.257
ChEBI CHEBI:78309
MDL Number MFCD00064457
SMILES CC=CC1=CC(=C(C=C1OC)OC)OC
Synonym alpha-asarone,asarone,trans-isoasarone,trans-asarone,asaron,azaron,etherophenol,trans-isoasaron,e-asarone,asarum camphor
IUPAC Name 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
InChI Key RKFAZBXYICVSKP-AATRIKPKSA-N
Molecular Formula C12H16O3
1,273
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Methyl Salicylate, NF, 98-102%, Spectrum™ Chemical
SDP

CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O

CAS 119-36-8
Molecular Weight (g/mol) 152.15
SMILES COC(=O)C1=CC=CC=C1O
IUPAC Name methyl 2-hydroxybenzoate
InChI Key OSWPMRLSEDHDFF-UHFFFAOYSA-N
Molecular Formula C8H8O3
1,274

1-Chloro-4-fluorobenzene, 98%

CAS: 352-33-0 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000603 InChI Key: RJCGZNCCVKIBHO-UHFFFAOYSA-N Synonym: p-chlorofluorobenzene,p-fluorochlorobenzene,4-chlorofluorobenzene,benzene, 1-chloro-4-fluoro,1-fluoro-4-chlorobenzene,1-chloro-4-fluoro-benzene,4-fluorochlorobenzene,1,4-fluorochlorobenzene,p-chloro-fluorobenzene,pubchem3420 PubChem CID: 9604 IUPAC Name: 1-chloro-4-fluorobenzene SMILES: FC1=CC=C(Cl)C=C1

PubChem CID 9604
CAS 352-33-0
Molecular Weight (g/mol) 130.55
MDL Number MFCD00000603
SMILES FC1=CC=C(Cl)C=C1
Synonym p-chlorofluorobenzene,p-fluorochlorobenzene,4-chlorofluorobenzene,benzene, 1-chloro-4-fluoro,1-fluoro-4-chlorobenzene,1-chloro-4-fluoro-benzene,4-fluorochlorobenzene,1,4-fluorochlorobenzene,p-chloro-fluorobenzene,pubchem3420
IUPAC Name 1-chloro-4-fluorobenzene
InChI Key RJCGZNCCVKIBHO-UHFFFAOYSA-N
Molecular Formula C6H4ClF
1,275

4-Fluorothiobenzamide, 97%

CAS: 22179-72-2 Molecular Formula: C7H6FNS Molecular Weight (g/mol): 155.19 MDL Number: MFCD01313285 InChI Key: VQFOHZWOKJQOGO-UHFFFAOYSA-N Synonym: 4-fluorothiobenzamide,4-fluorobenzothioamide,4-fluorobenzene-1-carbothioamide,4-fluoro-1-benzenecarbothioamide,4-fluoro-thiobenzamide,benzenecarbothioamide, 4-fluoro,amino 4-fluorophenyl methane-1-thione,p-fluorothiobenzamide,acmc-20amhq,4-fluoro thiobenzamide PubChem CID: 737223 IUPAC Name: 4-fluorobenzenecarbothioamide SMILES: NC(=S)C1=CC=C(F)C=C1

PubChem CID 737223
CAS 22179-72-2
Molecular Weight (g/mol) 155.19
MDL Number MFCD01313285
SMILES NC(=S)C1=CC=C(F)C=C1
Synonym 4-fluorothiobenzamide,4-fluorobenzothioamide,4-fluorobenzene-1-carbothioamide,4-fluoro-1-benzenecarbothioamide,4-fluoro-thiobenzamide,benzenecarbothioamide, 4-fluoro,amino 4-fluorophenyl methane-1-thione,p-fluorothiobenzamide,acmc-20amhq,4-fluoro thiobenzamide
IUPAC Name 4-fluorobenzenecarbothioamide
InChI Key VQFOHZWOKJQOGO-UHFFFAOYSA-N
Molecular Formula C7H6FNS